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1000342-34-6 | Benzenamine, 3-bromo-2-methyl-5-nitro-
CAS No: 1000342-34-6 Catalog No: AG0000IJ MDL No:MFCD09880011
Product Description
Catalog Number:
AG0000IJ
Chemical Name:
Benzenamine, 3-bromo-2-methyl-5-nitro-
CAS Number:
1000342-34-6
Molecular Formula:
C7H7BrN2O2
Molecular Weight:
231.0467
MDL Number:
MFCD09880011
IUPAC Name:
3-bromo-2-methyl-5-nitroaniline
InChI:
InChI=1S/C7H7BrN2O2/c1-4-6(8)2-5(10(11)12)3-7(4)9/h2-3H,9H2,1H3
InChI Key:
AORXQFQBVQILBL-UHFFFAOYSA-N
SMILES:
Nc1cc(cc(c1C)Br)[N+](=O)[O-]
Properties
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
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