AG002KCA

20965-20-2 | Butanenitrile, 3-bromo-

AG002KCA

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CAS Number	20965-20-2
Catalog Number	AG002KCA(AGN-PC-0JSPZA)
Chemical Name	Butanenitrile, 3-bromo-
IUPAC Name	3-bromobutanenitrile
InChI	InChI=1S/C4H6BrN/c1-4(5)2-3-6/h4H,2H2,1H3
InChI Key	MBXSHBIQMDKTEW-UHFFFAOYSA-N
MDL Number	MFCD00039488
Molecular Formula	C4H6BrN
Molecular Weight	148.0011
SMILES	C(C(Br)C)C#N
Synonyms	3-Bromobutyronitrile, 20965-20-2, 3-Bromobutanenitrile, Butanenitrile, 3-bromo-, MBXSHBIQMDKTEW-UHFFFAOYSA-N, 2-Bromopropyl Cyanide, 3-Bromobutanenitrile #, AC1LC7BB, ACMC-1CG5R, SCHEMBL1780523, 3-bromobutyronitrile, AldrichCPR, CTK0I9878, MBXSHBIQMDKTEW-UHFFFAOYSA-, DTXSID70338468, ANW-24291, MFCD00039488, AKOS025294883, FCH1116680, BP-10300, OR322122, DB-045440, TC-113036, FT-0638068, C-51041, I14-107855, InChI=1/C4H6BrN/c1-4(5)2-3-6/h4H,2H2,1H3, CID549273, B1452,

Complexity	70.9
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	146.968g/mol
Formal Charge	0
Heavy Atom Count	6
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	148.003g/mol
Monoisotopic Mass	146.968g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	23.8A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H227-H301+H311+H331-H315-H319
Packing Group
Precautionary statements	P210-P261-P264-P270-P271-P280-P301+P310+P330-P302+P352+P312+P361+P364-P304+P340+P311-P305+P351+P338+P337+P313-P403+P233-P405-P501
UN Code	\N

Certificate of Analysis

Lot Number