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Home > Nitro Compounds > 885-82-5
885-82-5 | 3-Nitro-[1,1'-biphenyl]-4-ol
CAS No: 885-82-5 Catalog No: AG003LI9 MDL No:MFCD00014694
Product Description
Catalog Number:
AG003LI9
Chemical Name:
3-Nitro-[1,1'-biphenyl]-4-ol
CAS Number:
885-82-5
Molecular Formula:
C12H9NO3
Molecular Weight:
215.2048
MDL Number:
MFCD00014694
IUPAC Name:
2-nitro-4-phenylphenol
InChI:
InChI=1S/C12H9NO3/c14-12-7-6-10(8-11(12)13(15)16)9-4-2-1-3-5-9/h1-8,14H
InChI Key:
JDDNJJBXFOLPKX-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1O)c1ccccc1
EC Number:
212-946-3
NSC Number:
95810
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.058g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
215.208g/mol
Monoisotopic Mass:
215.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
Literature
| Title | Journal |
|---|---|
| 4-Meth-oxy-3-nitro-biphen-yl. | Acta crystallographica. Section E, Structure reports online 20120101 |
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