6327 1 2 3 4 5 17 6 1 1 1 1 2 2 2 2 3 4 5 1 1 1 1 1 5 255 1 2 3 4 5 2 3 3 3.62 3 0 0 -0.62 -0 0.62 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371000000000400000000000000000000000000000000000000000000000000000000000010020000000000000000400200000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 chloromethane IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 chloromethane IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 chloromethane IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 chloromethane IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 chloranylmethane IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 chloromethane InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/CH3Cl/c1-2/h1H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 NEHMKBQYUWJMIP-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 0.8 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 49.9923278 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 CH3Cl Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 50.49 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCl SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCl Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 49.9923278 2 0 0 0 0 0 0 0 1 -1