AG003718

57381-49-4 | 2-Bromo-4-chlorobenzonitrile

AG003718

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CAS Number	57381-49-4
Catalog Number	AG003718(AGN-PC-04480K)
Chemical Name	2-Bromo-4-chlorobenzonitrile
IUPAC Name	2-bromo-4-chlorobenzonitrile
InChI	InChI=1S/C7H3BrClN/c8-7-3-6(9)2-1-5(7)4-10/h1-3H
InChI Key	PEAQTMSQUXACRN-UHFFFAOYSA-N
MDL Number	MFCD00158966
Molecular Formula	C7H3BrClN
Molecular Weight	216.4624
SMILES	N#Cc1ccc(cc1Br)Cl
Synonyms	2-Bromo-4-chlorobenzonitrile, 57381-49-4, Benzonitrile, 2-bromo-4-chloro-, AK-81934, ACMC-209lxw, KSC606O6P, SCHEMBL964656, 2-Bromo-4-chloro-benzonitrile, CTK5A6767, KS-00000MVP, DTXSID10634517, PEAQTMSQUXACRN-UHFFFAOYSA-N, BCP25368, ZX-AT016029, ANW-32706, BBL102868, MFCD00158966, STL556676, ZINC39937514, AKOS015850274, CS-W005332, FCH1330508, OR46060, QC-3903, RP08929, BBV-40206615, CJ-20013, DS-16451, SY104044, AB0061262, AJ-100651, AX8071755, DB-005998, TC-068140, FT-0081380, FT-0651122, V6713, MFCD00158966 (97%), C-5707, C-55830, J-508272, I01-10669, 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