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1142382-25-9 | Benzenamine, 5-bromo-2-methyl-4-nitro-
CAS No: 1142382-25-9 Catalog No: AG000AWD MDL No:
Product Description
Catalog Number:
AG000AWD
Chemical Name:
Benzenamine, 5-bromo-2-methyl-4-nitro-
CAS Number:
1142382-25-9
Molecular Formula:
C7H7BrN2O2
Molecular Weight:
231.0467
IUPAC Name:
5-bromo-2-methyl-4-nitroaniline
InChI:
InChI=1S/C7H7BrN2O2/c1-4-2-7(10(11)12)5(8)3-6(4)9/h2-3H,9H2,1H3
InChI Key:
SGADFWYBCVHBGJ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(C)c(cc1Br)N
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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