AG00IH79

925672-89-5 | Benzeneacetonitrile, 4-bromo-2-cyano-

AG00IH79

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CAS Number	925672-89-5
Catalog Number	AG00IH79(AGN-PC-09MQSA)
Chemical Name	Benzeneacetonitrile, 4-bromo-2-cyano-
IUPAC Name	5-bromo-2-(cyanomethyl)benzonitrile
InChI	InChI=1S/C9H5BrN2/c10-9-2-1-7(3-4-11)8(5-9)6-12/h1-2,5H,3H2
InChI Key	JFJQZQISHKWUQJ-UHFFFAOYSA-N
MDL Number	MFCD09999218
Molecular Formula	C9H5BrN2
Molecular Weight	221.0534
SMILES	BrC1=CC(=C(C=C1)CC#N)C#N
Synonyms	4-Bromo-2-cyanobenzeneacetonitrile, 925672-89-5, 5-bromo-2-(cyanomethyl)benzonitrile, Benzeneacetonitrile, 4-bromo-2-cyano-, AK-24616, SCHEMBL17157309, CTK3I5714, DTXSID30680950, 2-Cyano-4-bromobenzeneacetonitrile, ACT08074, KS-00000HQ5, ANW-51220, MFCD09999218, ZINC59269049, AKOS015835560, DS-0379, FCH1397516, FS-2790, RP27297, BBV-40273623, BR-24616, CJ-20854, AB0027689, AJ-113402, AX8160312, TR-029027, 4CH-008555, FT-0702266, ST24028936, W9549, S-6737, J-514635, C9H5BrN2,

Complexity	244
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	219.964g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	221.057g/mol
Monoisotopic Mass	219.964g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	47.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number