Tribromonitromethane

CAT: 1299-RG-A260745-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RG-A260745-01Size:10 mg

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CAS Number

464-10-8

Synonyms

Tribromonitromethane

Molecular Formula

CBr3NO2

Molecular Weight

297.73

Product Name Synonym

Tribromonitromethane

Chemical Information

Bromopicrin

Prismatic crystals or oily colorless or clear dark amber liquid. (NTP, 1992)

CAS Number	464-10-8
PubChem CID	10046
IUPAC Name	tribromo(nitro)methane
Molecular Formula	CBr3NO2
Molecular Weight	297.73
XLogP	2.5
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	79

SMILES

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

InChI

InChI=1S/CBr3NO2/c2-1(3,4)5(6)7

InChIKey

QQZIUHOKWDFXEY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 464-10-8

CID: 10046

Formula: CBr3NO2

MW: 297.73

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	297.73
XLogP3	2.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	296.74587
Monoisotopic Mass	294.74792
Topological Polar Surface Area	45.8 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	79.9
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
HY-133635	Tribromonitromethane