1-CHLORO-2-NITROPROPANE

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII K2GZ49H7NP
EPA CompTox DTXSID6041264

Structure

InChI Key FPJNQQRSBJPGHM-UHFFFAOYSA-N
Smiles CC(CCl)[N+]([O-])=O
InChI
InChI=1S/C3H6ClNO2/c1-3(2-4)5(6)7/h3H,2H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H6Cl1N1O2
Molecular Weight 123.01
AlogP 0.89
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 43.14
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 2425-66-3
NORMAN SUSDAT
FDA SRS K2GZ49H7NP
CONTENTS