2795016
  -OEChem-05201321392D

 19 20  0     0  0  0  0  0  0999 V2000
    2.0000    1.7500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    0.0547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -1.5547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4272   -2.1216    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2156   -1.8640    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7227   -1.1647    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7227   -0.3353    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3 12  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  5  6  2  0  0  0  0
  5  9  1  0  0  0  0
  6  8  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 10  2  0  0  0  0
  8 12  1  0  0  0  0
  9 11  2  0  0  0  0
  9 17  1  0  0  0  0
 10 11  1  0  0  0  0
 10 18  1  0  0  0  0
 11 19  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
2795016

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
193

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBwMAAEAAAAAAAAAAAAAAAAASAAAAAwAAAAAAAAAEgBAAAAGgIAAAAADAagmAIwBoAABACIAmBaAAACCAAkIAAIiAEECsgMJjaFNRqCOWCk4BEIqYeIyPCOAAACAAAIAAAAAAQAABAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2,3-dihydrobenzofuran-7-carbonyl chloride

> <PUBCHEM_IUPAC_CAS_NAME>
2,3-dihydrobenzofuran-7-carbonyl chloride

> <PUBCHEM_IUPAC_NAME>
2,3-dihydro-1-benzofuran-7-carbonyl chloride

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2,3-dihydro-1-benzofuran-7-carbonyl chloride

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
coumaran-7-carbonyl chloride

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C9H7ClO2/c10-9(11)7-3-1-2-6-4-5-12-8(6)7/h1-3H,4-5H2

> <PUBCHEM_IUPAC_INCHIKEY>
KNBGUBMIJPZGHF-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.4

> <PUBCHEM_EXACT_MASS>
182.013457

> <PUBCHEM_MOLECULAR_FORMULA>
C9H7ClO2

> <PUBCHEM_MOLECULAR_WEIGHT>
182.60368

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1COC2=C(C=CC=C21)C(=O)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1COC2=C(C=CC=C21)C(=O)Cl

> <PUBCHEM_CACTVS_TPSA>
26.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
182.013457

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
12

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  11  8
5  6  8
5  9  8
6  8  8
8  10  8
9  11  8

$$$$