AG00EKL3

57775-06-1 | 2-(2-Bromophenyl)-2-methylpropanenitrile

AG00EKL3

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CAS Number	57775-06-1
Catalog Number	AG00EKL3(AGN-PC-0SOA7A)
Chemical Name	2-(2-Bromophenyl)-2-methylpropanenitrile
IUPAC Name	2-(2-bromophenyl)-2-methylpropanenitrile
InChI	InChI=1S/C10H10BrN/c1-10(2,7-12)8-5-3-4-6-9(8)11/h3-6H,1-2H3
InChI Key	YTUDHLARHDCOIR-UHFFFAOYSA-N
MDL Number	MFCD11036582
Molecular Formula	C10H10BrN
Molecular Weight	224.0971
SMILES	CC(C)(C1=CC=CC=C1Br)C#N
Synonyms	2-(2-Bromophenyl)-2-methylpropanenitrile, 57775-06-1, ACMC-209m0c, SCHEMBL3533547, CTK8B1945, KS-00000TBY, DTXSID70483528, YTUDHLARHDCOIR-UHFFFAOYSA-N, ANW-32794, MFCD11036582, ZINC39198872, AKOS012126349, DS-9895, FCH5059275, AK197950, BBV-34730167, CJ-19833, 2-(2'-bromophenyl)-2-methylpropionitrile, TC-121539, CS-0060864, V6736, alpha,alpha-Dimethyl-2-bromobenzeneacetonitrile, B-8999, EN300-171297, Z2168515495, C10H10BrN,

Complexity	201
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	223g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	224.101g/mol
Monoisotopic Mass	223g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	23.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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