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Home > Nitro Compounds > 21112-02-7
21112-02-7 | Benzene, 1,1'-(phenylmethylene)bis[4-nitro-
CAS No: 21112-02-7 Catalog No: AG002L6E MDL No:
Product Description
Catalog Number:
AG002L6E
Chemical Name:
Benzene, 1,1'-(phenylmethylene)bis[4-nitro-
CAS Number:
21112-02-7
Molecular Formula:
C19H14N2O4
Molecular Weight:
334.3255
IUPAC Name:
1-nitro-4-[(4-nitrophenyl)-phenylmethyl]benzene
InChI:
InChI=1S/C19H14N2O4/c22-20(23)17-10-6-15(7-11-17)19(14-4-2-1-3-5-14)16-8-12-18(13-9-16)21(24)25/h1-13,19H
InChI Key:
CCWAGSQBYBVMFW-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)C(c1ccc(cc1)[N+](=O)[O-])c1ccccc1
Properties
Complexity:
417
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.095g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
334.331g/mol
Monoisotopic Mass:
334.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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