AG003KYE

41963-20-6 | 4-Bromo-3-methylbenzonitrile

AG003KYE

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CAS Number	41963-20-6
Catalog Number	AG003KYE(AGN-PC-0KK8K3)
Chemical Name	4-Bromo-3-methylbenzonitrile
IUPAC Name	4-bromo-3-methylbenzonitrile
InChI	InChI=1S/C8H6BrN/c1-6-4-7(5-10)2-3-8(6)9/h2-4H,1H3
InChI Key	SKXUZFJOLNNWIG-UHFFFAOYSA-N
MDL Number	MFCD00031538
Molecular Formula	C8H6BrN
Molecular Weight	196.0439
SMILES	C1=C(C=CC(=C1C)Br)C#N
Synonyms	4-Bromo-3-methylbenzonitrile, 41963-20-6, 3-Methyl-4-bromobenzonitrile, 4-Bromo-3-Methyl-Benzonitrile, 4-Bromo-3-methylbenzonitrile, 98%, SKXUZFJOLNNWIG-UHFFFAOYSA-N, 4-bromo-3-methylbenzenecarbonitrile, MFCD00031538, AK-40009, PubChem3808, 4-Bromo-m-tolunitrile, ACMC-209jmj, AC1MC7E9, AC1Q2D3P, KSC497M9N, SCHEMBL152218, 4-bromo-3-methyl benzonitrile, 2-BROMO-5-CYANOTOLUENE, CTK3J7696, KS-00000EGG, 1-bromo-4-cyano-2-methylbenzene, benzonitrile, 4-bromo-3-methyl-, DTXSID00372097, ATTERCOP-CHM AT108603, ACN-S004531, ACT00375, ZINC4218223, ZX-AT006653, 4-Bromo-3-methylbenzonitrile, 97%, ANW-29705, BBL103249, OR6236, SBB064428, STL557059, 4 - Bromo - 3 - methylbenzonitrile, AKOS001321235, AB01529, AC-4036, AS03711, CM12986, CS-W002159, FCH2256784, LS00135, MCULE-7175649577, PS-8276, QC-4034, RP25411, RTR-016504, TRA0069832, VZ28536, AJ-49026, AN-12373, BBV-34551840, BC002613, BC676368, BR-40009, CC-18360, CJ-11588, FS000053, SC-04398, SY014473, AB0006457, AX8005839, DB-013273, ST2411205, TR-016504, 4CH-014525, AM20050109, FT-0617900, ST50408669, X2758, EN300-14316, A20930, B-3166, MFCD00031538 (97+%), C-08897, I01-4835, J-514740, Z220564338, C8H6BrN, ZINC04218223, CID2737494, -Methyl-4-bromobenzonitrile;4-Bromo-m-tolunitrile,

Complexity	158
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	194.968g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	196.047g/mol
Monoisotopic Mass	194.968g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	23.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number