Chloronitromethane

CAT: 1299-RM-C127000-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-C127000-01Size:10 mg

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CAS Number

1794-84-9

Synonyms

Chloro (nitro) methane

Molecular Formula

CH2ClNO2

Molecular Weight

95.49

Target Alternative Name

Chloronitromethane

Product Name Synonym

Chloro (nitro) methane

Chemical Information

Chloronitromethane

structure in first source

CAS Number	1794-84-9
PubChem CID	74529
IUPAC Name	chloro(nitro)methane
Molecular Formula	CH2ClNO2
Molecular Weight	95.48
XLogP	0.7
Topological Polar Surface Area	45.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	5
Formal Charge	0
Complexity	39

SMILES

C([N+](=O)[O-])Cl

InChI

InChI=1S/CH2ClNO2/c2-1-3(4)5/h1H2

InChIKey

CGKPGVZMSKVVOF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1794-84-9

CID: 74529

Formula: CH2ClNO2

MW: 95.48

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	95.48
XLogP3	0.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	94.9774060
Monoisotopic Mass	94.9774060
Topological Polar Surface Area	45.8 Å²
Heavy Atom Count	5
Formal Charge	0
Complexity	39.4
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
T39212-01	Chloronitromethane
268450-01	Chloronitromethane discontinued