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1266383-33-8 | Benzenamine, 5-bromo-3-methyl-2-nitro-
CAS No: 1266383-33-8 Catalog No: AG000T20 MDL No:
Product Description
Catalog Number:
AG000T20
Chemical Name:
Benzenamine, 5-bromo-3-methyl-2-nitro-
CAS Number:
1266383-33-8
Molecular Formula:
C7H7BrN2O2
Molecular Weight:
231.0467
IUPAC Name:
5-bromo-3-methyl-2-nitroaniline
InChI:
InChI=1S/C7H7BrN2O2/c1-4-2-5(8)3-6(9)7(4)10(11)12/h2-3H,9H2,1H3
InChI Key:
SXDVGGTVKSILAM-UHFFFAOYSA-N
SMILES:
Brc1cc(C)c(c(c1)N)[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:
2.7
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