Bromodichloronitromethane

CAT: 1299-RM-B155100-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-B155100-02Size:25 mg

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CAS Number

918-01-4

Synonyms

Dichlorobromonitromethane; bromodichloro (nitro) methane

Molecular Formula

CBrCl2NO2

Molecular Weight

208.83

Product Name Synonym

Dichlorobromonitromethane; bromodichloro (nitro) methane

Chemical Information

Bromodichloronitromethane

CAS Number	918-01-4
PubChem CID	595829
IUPAC Name	bromo-dichloro-nitromethane
Molecular Formula	CBrCl2NO2
Molecular Weight	208.82
XLogP	2.1
Topological Polar Surface Area	45.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	7
Formal Charge	0
Complexity	88

SMILES

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

InChI

InChI=1S/CBrCl2NO2/c2-1(3,4)5(6)7

InChIKey

JMZWGJLCNQYBHT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 918-01-4

CID: 595829

Formula: CBrCl2NO2

MW: 208.82

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	208.82
XLogP3	2.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	206.84895
Monoisotopic Mass	206.84895
Topological Polar Surface Area	45.8 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	88.2
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
RM-B150106-01	Bromochloronitromethane

Catalog	Name
TRC-B683425-100MG	Bromodichloronitromethane