AG005T7J

77532-78-6 | 2-Bromo-6-methylbenzonitrile

AG005T7J

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CAS Number	77532-78-6
Catalog Number	AG005T7J(AGN-PC-02R6V9)
Chemical Name	2-Bromo-6-methylbenzonitrile
IUPAC Name	2-bromo-6-methylbenzonitrile
InChI	InChI=1S/C8H6BrN/c1-6-3-2-4-8(9)7(6)5-10/h2-4H,1H3
InChI Key	AEQBTIZIDSFIGT-UHFFFAOYSA-N
MDL Number	MFCD09834775
Molecular Formula	C8H6BrN
Molecular Weight	196.0439
SMILES	C(#N)c1c(Br)cccc1C
Synonyms	2-BROMO-6-METHYLBENZONITRILE, 77532-78-6, 3-BROMO-2-CYANOTOLUENE, AK-40017, BENZONITRILE, 2-BROMO-6-METHYL-, Brom-a-cyanotoluol, PubChem22122, KSC494E3D, SCHEMBL584047, CTK3J4231, DTXSID50604779, KS-000011AB, ANW-49756, CL8157, FCH874039, MFCD09834775, ZINC59736591, AKOS006329394, AC-9441, AS05807, CB-4139, CM12983, CS-W018678, RL04973, RTR-037783, BBV-38310743, BC004754, BR-40017, CJ-20883, DS-13195, AB0026690, AJ-113636, AX8164350, DB-075342, ST2409723, TR-037783, 4CH-005104, FT-0714914, W8414, S-5543, J-508485, C8H6BrN, 2-Fluoro-6-methylbenzonitrile, 2-Fluoro-6-methyl-benzonitrile, A11609,

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-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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