AG00EG2E

62827-39-8 | 5-AMINO1-BROMO-2-METHYL-3-NITROBENZENE

AG00EG2E

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CAS Number	62827-39-8
Catalog Number	AG00EG2E(AGN-PC-0JWMMU)
Chemical Name	5-AMINO1-BROMO-2-METHYL-3-NITROBENZENE
IUPAC Name	3-bromo-4-methyl-5-nitroaniline
InChI	InChI=1S/C7H7BrN2O2/c1-4-6(8)2-5(9)3-7(4)10(11)12/h2-3H,9H2,1H3
InChI Key	FJRVWYCECCQKPB-UHFFFAOYSA-N
MDL Number	MFCD01464017
Molecular Formula	C7H7BrN2O2
Molecular Weight	231.0467
SMILES	NC1=CC([N+]([O-])=O)=C(C)C(Br)=C1
Synonyms	3-bromo-4-methyl-5-nitroaniline, 62827-39-8, 5-Amino1-bromo-2-methyl-3-nitrobenzene, AC1LGSHC, 5-Brom-3-nitro-4-toluidin, CTK2B1669, DTXSID80356557, ZINC346040, 5-bromo-4-methyl-3-nitrophenylamine, MFCD01464017, SBB097696, AKOS022172021, AJ-20033, AS-40384, Benzenamine, 3-bromo-4-methyl-5-nitro-, ZB011016, 4CH-003467, ST24041874, W-2921, 3-bromo-4-methyl-5-nitrobenzenamine, CID826213, AE-562/12222871,

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	2.1

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