7477 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 17 8 8 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 2 2 3 4 4 5 5 5 6 6 7 7 8 9 11 11 11 10 4 11 10 6 7 8 9 10 8 12 9 13 14 15 16 17 18 1 1 1 2 2 1 2 1 1 1 1 2 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 3.732 2.866 2 2.866 2.866 3.732 2 3.732 2 2.866 2 4.269 1.4631 4.269 1.4631 1.69 1.4631 2.31 2.5 -2 2.5 -1 1 -0.5 -0.5 0.5 0.5 2 -2.5 -0.81 -0.81 0.81 0.81 -1.9631 -2.81 -3.0369 8 8 8 8 8 8 4 4 5 5 6 7 6 7 8 9 8 9 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 139 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.384 Cactvs xemistry.com 2011.09.13 0 Count Rotatable Bond 5 E_NROTBONDS 3.384 Cactvs xemistry.com 2011.09.13 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 0000037180703000040000000000000000000000000000000000300000000000000000010000001A02000000000C068098023206800004008802605A0000020800242000088801060AC80C263285351A80312024C01108A98788CC00CE20000000000000004000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 4-methoxybenzoyl chloride IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 4-methoxybenzoyl chloride IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 4-methoxybenzoyl chloride IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 4-methoxybenzoyl chloride IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 4-methoxybenzoyl chloride InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C8H7ClO2/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3 InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 MXMOTZIXVICDSD-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2011.09.13 2.9 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 170.013457 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C8H7ClO2 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 170.59298 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 COC1=CC=C(C=C1)C(=O)Cl SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 COC1=CC=C(C=C1)C(=O)Cl Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 26.3 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 170.013457 11 0 0 0 0 0 0 0 1 1