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Home > Nitro Compounds > 2113-58-8
2113-58-8 | 1,1'-Biphenyl, 3-nitro-
CAS No: 2113-58-8 Catalog No: AG002L9X MDL No:MFCD00007245
Product Description
Catalog Number:
AG002L9X
Chemical Name:
1,1'-Biphenyl, 3-nitro-
CAS Number:
2113-58-8
Molecular Formula:
C12H9NO2
Molecular Weight:
199.2054
MDL Number:
MFCD00007245
IUPAC Name:
1-nitro-3-phenylbenzene
InChI:
InChI=1S/C12H9NO2/c14-13(15)12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H
InChI Key:
FYRPEHRWMVMHQM-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)c1ccccc1
EC Number:
218-305-4
NSC Number:
408697
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.063g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.209g/mol
Monoisotopic Mass:
199.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
Literature
| Title | Journal |
|---|---|
| Formation of nitro products from the gas-phase OH radical-initiated reactions of toluene, naphthalene, and biphenyl: effect of NO2 concentration. | Environmental science & technology 20081215 |
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