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Home > Nitro Compounds > 100872-88-6
100872-88-6 | Benzene, 1,1'-ethylidenebis[4-nitro-
CAS No: 100872-88-6 Catalog No: AG00032H MDL No:
Product Description
Catalog Number:
AG00032H
Chemical Name:
Benzene, 1,1'-ethylidenebis[4-nitro-
CAS Number:
100872-88-6
Molecular Formula:
C14H12N2O4
Molecular Weight:
272.2561
IUPAC Name:
1-nitro-4-[1-(4-nitrophenyl)ethyl]benzene
InChI:
InChI=1S/C14H12N2O4/c1-10(11-2-6-13(7-3-11)15(17)18)12-4-8-14(9-5-12)16(19)20/h2-10H,1H3
InChI Key:
LAXLETIPMCWLAS-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.08g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.26g/mol
Monoisotopic Mass:
272.08g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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