Structural Complex
Chemical ID: A1CE7
IUPAC Name: (bromomethyl)phosphonic acid
Formal Charge: 0
Type: non-polymer
Physiochemical Descriptor:
Formula: C H4 Br O3 P
Molecular weight: 174.918
Hydrogen Bond Acceptor: 3
Hydrogen Bond Donor: 2
Rotatable Bonds: 3
Heavy Atoms: 6
Systematic name
Program Version Descriptor
ACDLabs 14.52 (bromomethyl)phosphonic acid
OpenEye OEToolkits 3.1.0.0 bromomethylphosphonic acid
Chemical Descriptors
Type Program Version Descriptor
SMILES ACDLabs 14.52 BrCP(=O)(O)O
InChI InChI 1.06 InChI=1S/CH4BrO3P/c2-1-6(3,4)5/h1H2,(H2,3,4,5)
InChIKey InChI 1.06 OYWFWDQOWQBTHK-UHFFFAOYSA-N
SMILES_CANONICAL CACTVS 3.385 O[P](O)(=O)CBr
SMILES CACTVS 3.385 O[P](O)(=O)CBr
SMILES_CANONICAL OpenEye OEToolkits 3.1.0.0 C(P(=O)(O)O)Br
SMILES OpenEye OEToolkits 3.1.0.0 C(P(=O)(O)O)Br
Chemical Database Mapping
Database Reference ID
PubChem 12521975
ZINC ZINC000081127970
SureChEMBL SCHEMBL1032583
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