2-Bromopropanedinitrile

CAT: 0926-BAA88522-02Size: 2.5 gDry Ice: NoHazardous: No

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CAT#:0926-BAA88522-02Size:2.5 g

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CAS Number

1885-22-9

MDL Number

MFCD01570746

Smiles

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

Molecular Formula

C3HBrN2

Molecular Weight

144.96 g/mol

Controlled

Chemical Information

Bromomalonitrile

oxidizing agent; structure

CAS Number	1885-22-9
PubChem CID	192748
IUPAC Name	2-bromopropanedinitrile
Molecular Formula	C3HBrN2
Molecular Weight	144.96
XLogP	0.8
Topological Polar Surface Area	47.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	6
Formal Charge	0
Complexity	106

SMILES

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

InChI

InChI=1S/C3HBrN2/c4-3(1-5)2-6/h3H

InChIKey

SFRZRFWPESUWKP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1885-22-9

CID: 192748

Formula: C3HBrN2

MW: 144.96

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	144.96
XLogP3	0.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	143.93231
Monoisotopic Mass	143.93231
Topological Polar Surface Area	47.6 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	106
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
FB142753-01	3-Bromopropanenitrile
AAA40737	2,2,2-Trifluoro-N- (2,2,2-trifluoroethyl) acetamide
WYB72229-01	2,2,2-Trifluoroethyl N- (2,2,2-trifluoroethyl) carbamate
IXB41367-01	(2,2-Dimethylpropyl) (2,2,2-trifluoroethyl) amine
FB15824-01	2,2-Bis (hydroxymethyl) -2,2',2''-nitrilotriethanol
IGA88442-01	2- (2,2,2-Trifluoroethyl) benzaldehyde
AAC81537-01	2- (2,2,2-Trifluoroethoxy) propanenitrile
KJD25151-01	2-Ethynylbicyclo[2.2.2]octane
HCA63104-01	2- (2,2,2-Trifluoroethyl) aniline
FT80448-01	2,2,2-Trifluoroethanesulfonamide

Catalog	Name
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TRC-T790240-50MG	2,2,2-Trifluoroethyl 2-Hydroxy-5-(2,2,2-trifluoroethoxy)benzoate
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