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Home > Nitro Compounds > 15854-73-6
15854-73-6 | 1,1'-Biphenyl, 4-methoxy-3-nitro-
CAS No: 15854-73-6 Catalog No: AG001QAN MDL No:MFCD00191554
Product Description
Catalog Number:
AG001QAN
Chemical Name:
1,1'-Biphenyl, 4-methoxy-3-nitro-
CAS Number:
15854-73-6
Molecular Formula:
C13H11NO3
Molecular Weight:
229.2313
MDL Number:
MFCD00191554
IUPAC Name:
1-methoxy-2-nitro-4-phenylbenzene
InChI:
InChI=1S/C13H11NO3/c1-17-13-8-7-11(9-12(13)14(15)16)10-5-3-2-4-6-10/h2-9H,1H3
InChI Key:
HVYOIIIEAVPMCR-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1[N+](=O)[O-])c1ccccc1
EC Number:
605-152-7
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.074g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.235g/mol
Monoisotopic Mass:
229.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
Literature
| Title | Journal |
|---|---|
| 4-Meth-oxy-3-nitro-biphen-yl. | Acta crystallographica. Section E, Structure reports online 20120101 |
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