AG0033XO

67832-11-5 | 4-Bromo-2-methylbenzonitrile

AG0033XO

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CAS Number	67832-11-5
Catalog Number	AG0033XO(AGN-PC-0JMTSL)
Chemical Name	4-Bromo-2-methylbenzonitrile
IUPAC Name	4-bromo-2-methylbenzonitrile
InChI	InChI=1S/C8H6BrN/c1-6-4-8(9)3-2-7(6)5-10/h2-4H,1H3
InChI Key	LPEBMDFRIKYFCF-UHFFFAOYSA-N
MDL Number	MFCD00041461
Molecular Formula	C8H6BrN
Molecular Weight	196.0439
NSC Number	229305
SMILES	BrC1=CC(=C(C#N)C=C1)C
Synonyms	4-Bromo-2-methylbenzonitrile, 67832-11-5, benzonitrile, 4-bromo-2-methyl-, 5-Bromo-2-cyanotoluene, 2-methyl-4-bromo benzonitrile, 4-Bromo-2-Methyl-Benzonitrile, LPEBMDFRIKYFCF-UHFFFAOYSA-N, 5-Nitro-2-(1-pyrrolidinyl)toluene, MFCD00041461, AK-36082, 4-BROMO-2-METHYLBENZENE CARBONITRILE, 4-bromo-2-methylbenzenecarbonitrile, NSC229305, PubChem4721, AC1L3OUU, AC1Q2EKH, 4-bromo-methylbenzonitrile, 4bromo-2-methylbenzonitrile, 2-methyl-4-bromobenzonitrile, 4-Bromo-2-methylcyanobenzene, KSC494C6R, SCHEMBL290236, 4-bromo-2-methyl benzonitrile, ACMC-209o13, CTK3J4168, KS-00000EHL, TIMTEC-BB SBB005832, DTXSID30218075, ATTERCOP-CHM AT108609, ACN-S004576, ACT00614, EBD13301, ZINC1758063, ZX-AT006444, 4-Bromo-2-methylbenzonitrile, 97%, ANW-35413, OR3057, SBB005832, AKOS007930426, AC-4035, AN-2000, AS01631, CB-1072, CM12985, CS-W002196, FCH2581082, LS10274, NSC-229305, PS-8274, RP25412, RTC-010850, TF10249, TRA0076722, AJ-31521, BBV-36828950, BC002820, BR-36082, CC-18253, CJ-07041, CJ-29719, L655, SC-06233, SY016349, AB0014814, AB1007136, AX8010933, BB0295766, DB-010068, ST2411177, TC-010850, 4CH-006882, A1775, AM20060966, B3993, FT-0617790, ST50406061, MFCD00041461 (98%), EN300-107186, M-2309, 832B115, C-08900, I01-0251, J-514675, null, 1,2-Xylene, 4-Bromo-o-tolunitrile, C8H6BrN, CID144267, 4-Bromo-2-methylbenzonitrile, 98% - 1G 1g,

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	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H319-H312-H315-H331-H335
Packing Group
Precautionary statements	P305+P351+P338-P261-P280-P304+P340-P405-P501a
UN Code	\N

Certificate of Analysis

Lot Number