7840 1 2 3 4 5 6 7 8 9 10 11 35 6 6 6 1 1 1 1 1 1 1 1 2 2 2 2 3 3 4 4 4 3 3 4 5 6 7 8 9 10 11 1 1 1 1 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 2 3.732 2.866 4.5981 4.1306 3.3335 2.4675 3.2646 4.2881 5.135 4.9081 0.25 0.25 -0.25 -0.25 0.7249 0.7249 -0.7249 -0.7249 -0.7869 -0.56 0.2869 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 7.2 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 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371804000000010000000000000000000000000000000000000000000000000000000000018004000000148008000000200000000000000000000000000000000000000000000200000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-bromopropane IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-bromopropane IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-bromopropane IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-bromopropane IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-bromanylpropane IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-bromopropane InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C3H7Br/c1-2-3-4/h2-3H2,1H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 CYNYIHKIEHGYOZ-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2.1 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 121.97311 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C3H7Br Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 122.99 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCCBr SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCCBr 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 2021.10.14 121.97311 4 0 0 0 0 0 0 0 1 -1