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136861-01-3 | [1,1'-Biphenyl]-2,4-diamine, 6-nitro-
CAS No: 136861-01-3 Catalog No: AG0012HB MDL No:
Product Description
Catalog Number:
AG0012HB
Chemical Name:
[1,1'-Biphenyl]-2,4-diamine, 6-nitro-
CAS Number:
136861-01-3
Molecular Formula:
C12H11N3O2
Molecular Weight:
229.2346
IUPAC Name:
5-nitro-4-phenylbenzene-1,3-diamine
InChI:
InChI=1S/C12H11N3O2/c13-9-6-10(14)12(11(7-9)15(16)17)8-4-2-1-3-5-8/h1-7H,13-14H2
InChI Key:
YKBWNTIWQMGILB-UHFFFAOYSA-N
SMILES:
Nc1cc(N)c(c(c1)[N+](=O)[O-])c1ccccc1
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.085g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
229.239g/mol
Monoisotopic Mass:
229.085g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
97.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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