AG00DJAR

51632-12-3 | 2-(4-BroMo-phenyl)-3-Methyl-butyronitrile

AG00DJAR

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CAS Number	51632-12-3
Catalog Number	AG00DJAR(AGN-PC-0SAW1B)
Chemical Name	2-(4-BroMo-phenyl)-3-Methyl-butyronitrile
IUPAC Name	2-(4-bromophenyl)-3-methylbutanenitrile
InChI	InChI=1S/C11H12BrN/c1-8(2)11(7-13)9-3-5-10(12)6-4-9/h3-6,8,11H,1-2H3
InChI Key	HVKBRQVNADDWAP-UHFFFAOYSA-N
MDL Number	MFCD11592218
Molecular Formula	C11H12BrN
Molecular Weight	238.1237
SMILES	CC(C)C(C1=CC=C(Br)C=C1)C#N
Synonyms	2-(4-bromophenyl)-3-methylbutanenitrile, 51632-12-3, 2-(4-Bromo-phenyl)-3-methyl-butyronitrile, SCHEMBL10952365, MFCD11592218, AKOS015151372, FCH1405203, NE30089, KS-00000M55, AK482788, BBV-40281310, DS-18928, AZ0001-0366, EN300-129355,

Complexity	195
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	237.015g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	238.128g/mol
Monoisotopic Mass	237.015g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	23.8A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	3.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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