CID 6007795
PubChem CID
6007795
Structure
Preferred Compound
Molecular Formula
Status
Non-live
Molecular Weight
453.64 g/mol
Dates
- Create:2005-09-13
Chemical Structure Depiction
7-(2-chloro-6-fluorophenyl)-5-(4-iodophenyl)-1,7-dihydrotetrazolo[1,5-a]pyrimidine
InChI=1S/C16H10ClFIN5/c17-11-2-1-3-12(18)15(11)14-8-13(9-4-6-10(19)7-5-9)20-16-21-22-23-24(14)16/h1-8,14H,(H,20,21,23)
LXVRAEPOEHEUFV-UHFFFAOYSA-N
C1=CC(=C(C(=C1)Cl)C2C=C(N=C3N2NN=N3)C4=CC=C(C=C4)I)F
C16H10ClFIN5
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
453.64 g/mol
Property Name
XLogP3-AA
Property Value
5.4
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Property Name
Rotatable Bond Count
Property Value
2
Property Name
Exact Mass
Property Value
452.96535 g/mol
Property Name
Monoisotopic Mass
Property Value
452.96535 g/mol
Property Name
Topological Polar Surface Area
Property Value
52.4 A^2
Property Name
Heavy Atom Count
Property Value
24
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
575
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
0
Property Name
Undefined Atom Stereocenter Count
Property Value
1
Property Name
Defined Bond Stereocenter Count
Property Value
0
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Property Name
Covalently-Bonded Unit Count
Property Value
1
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
Old substance
Old substance
Old substance
Old substance
CONTENTS