Bromodichloroacetonitrile

CAT: 0926-FB152693Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-FB152693Size:50 mg

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CAS Number

60523-73-1

Smiles

C (#N) C (Cl) (Cl) Br

Molecular Formula

C2BrCl2N

Molecular Weight

188.84 g/mol

Controlled

Chemical Information

Bromodichloroacetonitrile

CAS Number	60523-73-1
PubChem CID	572726
IUPAC Name	2-bromo-2,2-dichloroacetonitrile
Molecular Formula	C2BrCl2N
Molecular Weight	188.84
XLogP	2
Topological Polar Surface Area	23.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	6
Formal Charge	0
Complexity	91

SMILES

C(#N)C(Cl)(Cl)Br

InChI

InChI=1S/C2BrCl2N/c3-2(4,5)1-6

InChIKey

XDJVVCPVQOCPJI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 60523-73-1

CID: 572726

Formula: C2BrCl2N

MW: 188.84

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	188.84
XLogP3	2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	186.85912
Monoisotopic Mass	186.85912
Topological Polar Surface Area	23.8 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	91
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
T40691	Bromodichloroacetonitrile