AG0000R6

1000573-99-8 | Benzenamine, 4-bromo-3-chloro-2-nitro-

AG0000R6

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CAS Number	1000573-99-8
Catalog Number	AG0000R6(AGN-PC-0WCTT5)
Chemical Name	Benzenamine, 4-bromo-3-chloro-2-nitro-
IUPAC Name	4-bromo-3-chloro-2-nitroaniline
InChI	InChI=1S/C6H4BrClN2O2/c7-3-1-2-4(9)6(5(3)8)10(11)12/h1-2H,9H2
InChI Key	CQFJUGCVNFUHRZ-UHFFFAOYSA-N
MDL Number	MFCD09878187
Molecular Formula	C6H4BrClN2O2
Molecular Weight	251.4652
SMILES	NC1=CC=C(Br)C(Cl)=C1[N+]([O-])=O
Synonyms	4-Bromo-3-chloro-2-nitroaniline, 1000573-99-8, SCHEMBL240637, DTXSID50650251, CQFJUGCVNFUHRZ-UHFFFAOYSA-N, 0068AA, ZINC15444550, AKOS016011340, FS-5201, Benzenamine,4-bromo-3-chloro-2-nitro-, AJ-67534, Benzenamine, 4-bromo-3-chloro-2-nitro-, ST24043418, J-000023, C6H4BrClN2O2,

Complexity	187
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	249.914g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	251.464g/mol
Monoisotopic Mass	249.914g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	71.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

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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