AG003KXZ

57418-97-0 | 4-BROMO-3-CHLOROBENZONITRILE

AG003KXZ

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CAS Number	57418-97-0
Catalog Number	AG003KXZ(AGN-PC-01438B)
Chemical Name	4-BROMO-3-CHLOROBENZONITRILE
IUPAC Name	4-bromo-3-chlorobenzonitrile
InChI	InChI=1S/C7H3BrClN/c8-6-2-1-5(4-10)3-7(6)9/h1-3H
InChI Key	YWTKUWXYQQZSIL-UHFFFAOYSA-N
MDL Number	MFCD09834777
Molecular Formula	C7H3BrClN
Molecular Weight	216.4624
SMILES	BrC1=C(C=C(C#N)C=C1)Cl
Synonyms	4-bromo-3-chlorobenzonitrile, 57418-97-0, 4-Bromo-3-Chloro Benzonitrile, Benzonitrile, 4-bromo-3-chloro-, 3-chloro-4-bromobenzonitrile, AK-40079, PubChem12803, ACMC-1AZ3F, KSC493O3L, 4-bromo-3-chloro-benzonitrile, SCHEMBL1798189, CTK3J3735, DTXSID20586558, YWTKUWXYQQZSIL-UHFFFAOYSA-N, ACT01080, KS-00000D9V, ANW-32717, MFCD09834777, ZINC36533194, AKOS015834917, AS06882, FCH1393899, LS10143, RTR-020046, TRA0036107, AJ-93133, AS-18888, BBV-40270006, BC003701, BR-40079, CJ-18949, SC-93787, SY021473, 4-bromanyl-3-chloranyl-benzenecarbonitrile, AB0030861, AX8211556, ST2411195, TR-020046, AM20040749, FT-0684510, X3122, C-6160, MFCD09834777 (97+%), A831440, C7H3BrClN,

Complexity	162
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	214.914g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	216.462g/mol
Monoisotopic Mass	214.914g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	23.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number