Dibromonitromethane

CAT: 1299-RM-D025100-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-D025100-01Size:10 mg

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CAS Number

598-91-4

Synonyms

Nitrodibromomethane; Dibromo-nitromethane

Molecular Formula

CHBr2NO2

Molecular Weight

218.83

Product Name Synonym

Nitrodibromomethane; Dibromo-nitromethane

Chemical Information

Dibromonitromethane

CAS Number	598-91-4
PubChem CID	69026
IUPAC Name	dibromo(nitro)methane
Molecular Formula	CHBr2NO2
Molecular Weight	218.83
XLogP	1.8
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-])(Br)Br

InChI

InChI=1S/CHBr2NO2/c2-1(3)4(5)6/h1H

InChIKey

GQEVYCCMYUNRHJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 598-91-4

CID: 69026

Formula: CHBr2NO2

MW: 218.83

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	218.83
XLogP3	1.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	218.83535
Monoisotopic Mass	216.83740
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
TRC-D425710-10MG	Dibromonitromethane
009070-01	Dibromonitromethane discontinued
271961-01	Dibromonitromethane discontinued. See 009070