Bromochloronitromethane

CAT: 1299-RM-B150106-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-B150106-02Size:25 mg

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CAS Number

135531-25-8

Synonyms

Bromochloro (nitro) methane

Molecular Formula

CHBrClNO2

Molecular Weight

174.38

Target Alternative Name

Bromochloronitromethane

Product Name Synonym

Bromochloro (nitro) methane

Chemical Information

Bromochloronitromethane

CAS Number	135531-25-8
PubChem CID	582251
IUPAC Name	bromo-chloro-nitromethane
Molecular Formula	CHBrClNO2
Molecular Weight	174.38
XLogP	1.6
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	61

SMILES

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

InChI

InChI=1S/CHBrClNO2/c2-1(3)4(5)6/h1H

InChIKey

QUGLTGHXUDTPKJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 135531-25-8

CID: 582251

Formula: CHBrClNO2

MW: 174.38

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	174.38
XLogP3	1.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	172.88792
Monoisotopic Mass	172.88792
Topological Polar Surface Area	45.8 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	61.1
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
RM-B155100-01	Bromodichloronitromethane

Catalog	Name
GTR19222447	Bromochloronitromethane
TRC-B682365-1MG	Bromochloronitromethane (>85%)