AG000QFP

1201643-73-3 | Benzeneacetonitrile, 4-(bromomethyl)-α,α-dimethyl-

AG000QFP

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CAS Number	1201643-73-3
Catalog Number	AG000QFP(AGN-PC-0WA52T)
Chemical Name	Benzeneacetonitrile, 4-(bromomethyl)-α,α-dimethyl-
IUPAC Name	2-[4-(bromomethyl)phenyl]-2-methylpropanenitrile
InChI	InChI=1S/C11H12BrN/c1-11(2,8-13)10-5-3-9(7-12)4-6-10/h3-6H,7H2,1-2H3
InChI Key	VSTXAWAMUHWZBE-UHFFFAOYSA-N
MDL Number	MFCD20184913
Molecular Formula	C11H12BrN
Molecular Weight	238.1237
SMILES	CC(C)(C1=CC=C(CBr)C=C1)C#N
Synonyms	2-(4-(Bromomethyl)phenyl)-2-methylpropanenitrile, 1201643-73-3, 2-[4-(bromomethyl)phenyl]-2-methylpropanenitrile, AK-79797, SCHEMBL1557927, CTK8C2384, KS-00000QJZ, DTXSID50729214, VSTXAWAMUHWZBE-UHFFFAOYSA-N, CS-M0469, 3491AA, ANW-68322, MFCD20184913, ZINC82864462, AKOS014098505, FCH4648244, NE52553, BBV-39184084, DS-17751, AJ-125653, AX8237566, ST2409313, TC-157067, 4CH-016234, EN300-141751, Benzeneacetonitrile, 4-(bromomethyl)-alpha,alpha-dimethyl-, C11H12BrN, Benzeneacetonitrile, 4-(bromomethyl)-,

Complexity	205
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	0
Undefined Bond Stereocenter Count	0
XLogP3	3.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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