AG00CJYV

40371-63-9 | 5-Bromo-4-methyl-2-nitroaniline

AG00CJYV

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CAS Number	40371-63-9
Catalog Number	AG00CJYV(AGN-PC-0L9MPF)
Chemical Name	5-Bromo-4-methyl-2-nitroaniline
IUPAC Name	5-bromo-4-methyl-2-nitroaniline
InChI	InChI=1S/C7H7BrN2O2/c1-4-2-7(10(11)12)6(9)3-5(4)8/h2-3H,9H2,1H3
InChI Key	CEVXSOYABRHNEK-UHFFFAOYSA-N
MDL Number	MFCD00156314
Molecular Formula	C7H7BrN2O2
Molecular Weight	231.0467
SMILES	NC1=CC(Br)=C(C)C=C1[N+]([O-])=O
Synonyms	5-bromo-4-methyl-2-nitroaniline, 40371-63-9, Benzenamine, 5-bromo-4-methyl-2-nitro-, AK-91208, ACMC-209jdq, AC1N8T8H, AC1Q2D3G, SCHEMBL2374034, CTK4I2955, KS-00000PZF, DTXSID40402221, CEVXSOYABRHNEK-UHFFFAOYSA-N, ZINC4774447, ANW-29388, MFCD00156314, AKOS015834003, FCH1330470, MCULE-3169594196, AJ-52240, CJ-12282, DS-17153, OR400109, AX8229625, TR-036725, CS-0061235, ST24023969, V5778, B-2614, I14-24764, C7H7BrN2O2, 5-bromo-4-methyl-2-nitro-aniline, CID4349575,

Complexity	183
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	229.969g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	231.049g/mol
Monoisotopic Mass	229.969g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	71.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number