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Home > Nitro Compounds > 88145-35-1
88145-35-1 | 1,3-Benzodioxole, 5-nitro-2,2-diphenyl-
CAS No: 88145-35-1 Catalog No: AG004D8B MDL No:
Product Description
Catalog Number:
AG004D8B
Chemical Name:
1,3-Benzodioxole, 5-nitro-2,2-diphenyl-
CAS Number:
88145-35-1
Molecular Formula:
C19H13NO4
Molecular Weight:
319.3108
IUPAC Name:
5-nitro-2,2-diphenyl-1,3-benzodioxole
InChI:
InChI=1S/C19H13NO4/c21-20(22)16-11-12-17-18(13-16)24-19(23-17,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13H
InChI Key:
GYHXZMMEEKPSTG-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)OC(O2)(c1ccccc1)c1ccccc1
Properties
Complexity:
433
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.084g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
319.316g/mol
Monoisotopic Mass:
319.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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