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29608-75-1 | [1,1'-Biphenyl]-2-amine, 5-nitro-
CAS No: 29608-75-1 Catalog No: AG002YVR MDL No:MFCD00034061
Product Description
Catalog Number:
AG002YVR
Chemical Name:
[1,1'-Biphenyl]-2-amine, 5-nitro-
CAS Number:
29608-75-1
Molecular Formula:
C12H10N2O2
Molecular Weight:
214.2200
MDL Number:
MFCD00034061
IUPAC Name:
4-nitro-2-phenylaniline
InChI:
InChI=1S/C12H10N2O2/c13-12-7-6-10(14(15)16)8-11(12)9-4-2-1-3-5-9/h1-8H,13H2
InChI Key:
WFBXYWYRLONTJK-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1c1ccccc1)[N+](=O)[O-]
NSC Number:
83163
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.074g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
214.224g/mol
Monoisotopic Mass:
214.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Literature
| Title | Journal |
|---|---|
| One scaffold, three binding modes: novel and selective pteridine reductase 1 inhibitors derived from fragment hits discovered by virtual screening. | Journal of medicinal chemistry 20090723 |
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