Dichloronitromethane

CAT: 1299-RM-N700102-04Size: 100 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-N700102-04Size:100 mg

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CAS Number

7119-89-3

Synonyms

Dichloro (nitro) methane

Molecular Formula

CHCl2NO2

Molecular Weight

129.93

Target Alternative Name

Dichloronitromethane

Product Name Synonym

Dichloro (nitro) methane

Chemical Information

Dichloronitromethane

structure in first source

CAS Number	7119-89-3
PubChem CID	165571
IUPAC Name	dichloro(nitro)methane
Molecular Formula	CHCl2NO2
Molecular Weight	129.93
XLogP	1.4
Topological Polar Surface Area	45.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	6
Formal Charge	0
Complexity	57

SMILES

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

InChI

InChI=1S/CHCl2NO2/c2-1(3)4(5)6/h1H

InChIKey

XUNYLLBGLKGFHO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 7119-89-3

CID: 165571

Formula: CHCl2NO2

MW: 129.93

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	129.93
XLogP3	1.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	128.9384337
Monoisotopic Mass	128.9384337
Topological Polar Surface Area	45.8 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	57.1
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
MBS5800989-01	Dichloronitromethane