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Home > Nitro Compounds > 18931-53-8
18931-53-8 | Biphenylene, 2-nitro-
CAS No: 18931-53-8 Catalog No: AG002I9E MDL No:
Product Description
Catalog Number:
AG002I9E
Chemical Name:
Biphenylene, 2-nitro-
CAS Number:
18931-53-8
Molecular Formula:
C12H7NO2
Molecular Weight:
197.1895
IUPAC Name:
2-nitrobiphenylene
InChI:
InChI=1S/C12H7NO2/c14-13(15)8-5-6-11-9-3-1-2-4-10(9)12(11)7-8/h1-7H
InChI Key:
AWAUZFBPDSEEIL-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)c1c2cccc1
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.048g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.193g/mol
Monoisotopic Mass:
197.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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