AG00IDVU

860570-23-6 | 6-Bromo-2,3-dimethyl-4-nitroaniline

AG00IDVU

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CAS Number	860570-23-6
Catalog Number	AG00IDVU(AGN-PC-0WAIFW)
Chemical Name	6-Bromo-2,3-dimethyl-4-nitroaniline
IUPAC Name	6-bromo-2,3-dimethyl-4-nitroaniline
InChI	InChI=1S/C8H9BrN2O2/c1-4-5(2)8(10)6(9)3-7(4)11(12)13/h3H,10H2,1-2H3
InChI Key	SACJHENIOITGGB-UHFFFAOYSA-N
MDL Number	MFCD24539375
Molecular Formula	C8H9BrN2O2
Molecular Weight	245.0733
SMILES	Cc1c(C)c(cc(Br)c1N)[N+]([O-])=O
Synonyms	6-Bromo-2,3-dimethyl-4-nitroaniline, 860570-23-6, 4-Amino-5-bromo-2,3-dimethyl-1-nitrobenzene, MFCD24539375, ZINC95080309, CM11296, FCH2342926, AJ-132064, AX8291007, CS-0061167,

Complexity	207
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	243.985g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	245.076g/mol
Monoisotopic Mass	243.985g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	71.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

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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