AG00IKC5

99835-27-5 | Benzonitrile, 4-bromo-2,6-dichloro-

AG00IKC5

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CAS Number	99835-27-5
Catalog Number	AG00IKC5(AGN-PC-00MYRB)
Chemical Name	Benzonitrile, 4-bromo-2,6-dichloro-
IUPAC Name	4-bromo-2,6-dichlorobenzonitrile
InChI	InChI=1S/C7H2BrCl2N/c8-4-1-6(9)5(3-11)7(10)2-4/h1-2H
InChI Key	NKWBLKGGKNHCSU-UHFFFAOYSA-N
MDL Number	MFCD14702850
Molecular Formula	C7H2BrCl2N
Molecular Weight	250.9075
SMILES	ClC1=CC(Br)=CC(Cl)=C1C#N
Synonyms	4-Bromo-2,6-dichlorobenzonitrile, 99835-27-5, AK110555, C7H2BrCl2N, SCHEMBL1630139, KS-00000HTD, DTXSID00543189, 7005AC, MFCD14702850, ZINC63772425, AKOS016008707, Benzonitrile, 4-bromo-2,6-dichloro-, DS-4636, FCH1387537, MB14419, BBV-40263644, DA-00043, AJ-114542, AX8161158, CS-0028790, FT-0752840, ST24043345,

Complexity	176
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	248.875g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	250.904g/mol
Monoisotopic Mass	248.875g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	23.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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