Carbamimidic bromide hydrobromide (hydrobromide)

CAT: 0127-OR1037869-01Size: 25 gDry Ice: NoHazardous: No

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CAT#:0127-OR1037869-01Size:25 g

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CAS Number

29671-93-0

Purity

98%

Smiles

Br[H].BrC(N)=N

Chemical Information

Carbamimidic bromide hydrobromide

CAS Number	29671-93-0
PubChem CID	88142398
IUPAC Name	carbamimidoyl bromide;hydrobromide
Molecular Formula	CH4Br2N2
Molecular Weight	203.86
Topological Polar Surface Area	49.9
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	5
Formal Charge	0
Complexity	33

SMILES

C(=N)(N)Br.Br

InChI

InChI=1S/CH3BrN2.BrH/c2-1(3)4;/h(H3,3,4);1H

InChIKey

DHFKCMGYIMVIEO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 29671-93-0

CID: 88142398

Formula: CH4Br2N2

MW: 203.86

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	203.86
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	203.87207
Monoisotopic Mass	201.87412
Topological Polar Surface Area	49.9 Å²
Heavy Atom Count	5
Formal Charge	0
Complexity	33
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	2
Compound Is Canonicalized	Yes

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