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Home > Nitro Compounds > 80182-39-4
80182-39-4 | 1,1'-Biphenyl, methylnitro-
CAS No: 80182-39-4 Catalog No: AG0054DV MDL No:
Product Description
Catalog Number:
AG0054DV
Chemical Name:
1,1'-Biphenyl, methylnitro-
CAS Number:
80182-39-4
Molecular Formula:
C13H11NO2
Molecular Weight:
213.2319
IUPAC Name:
1-methyl-2-nitro-3-phenylbenzene
InChI:
InChI=1S/C13H11NO2/c1-10-6-5-9-12(13(10)14(15)16)11-7-3-2-4-8-11/h2-9H,1H3
InChI Key:
GKJLIVIFGFYPIV-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(C)cccc1c1ccccc1
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.079g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.236g/mol
Monoisotopic Mass:
213.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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