AG007PWM

215800-05-8 | 2-(4-Bromo-2-methylphenyl)acetonitrile

AG007PWM

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CAS Number	215800-05-8
Catalog Number	AG007PWM(AGN-PC-01VPAM)
Chemical Name	2-(4-Bromo-2-methylphenyl)acetonitrile
IUPAC Name	2-(4-bromo-2-methylphenyl)acetonitrile
InChI	InChI=1S/C9H8BrN/c1-7-6-9(10)3-2-8(7)4-5-11/h2-3,6H,4H2,1H3
InChI Key	JVPNKXZIJKBMDH-UHFFFAOYSA-N
MDL Number	MFCD14582920
Molecular Formula	C9H8BrN
Molecular Weight	210.0705
SMILES	CC1=C(CC#N)C=CC(Br)=C1
Synonyms	2-(4-Bromo-2-methylphenyl)acetonitrile, 215800-05-8, (4-bromo-2-methylphenyl)acetonitrile, AK103249, 4-BROMO-2-METHYLPHENYLACETONITRILE, SCHEMBL5786, CTK8C0616, KS-00000QCC, DTXSID10593554, JVPNKXZIJKBMDH-UHFFFAOYSA-N, 0971AB, ANW-64969, CL9126, MFCD14582920, ZINC83593243, AKOS016005045, ACN-052089, DS-2501, FCH1385037, NE19695, (4-Bromo-2-methyl-phenyl)-acetonitrile, CJ-22197, AJ-126022, AX8234788, ST2416099, TC-153714, 4CH-016026, FT-0746770, EN300-127692, C9H8BrN,

Complexity	170
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	208.984g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	210.074g/mol
Monoisotopic Mass	208.984g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	23.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

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