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2971-23-5 | Benzene, 1,1'-(2,2,2-trichloroethylidene)bis[4-nitro-
CAS No: 2971-23-5 Catalog No: AG002Z6F MDL No:
Product Description
Catalog Number:
AG002Z6F
Chemical Name:
Benzene, 1,1'-(2,2,2-trichloroethylidene)bis[4-nitro-
CAS Number:
2971-23-5
Molecular Formula:
C14H9Cl3N2O4
Molecular Weight:
375.5913
IUPAC Name:
1-nitro-4-[2,2,2-trichloro-1-(4-nitrophenyl)ethyl]benzene
InChI:
InChI=1S/C14H9Cl3N2O4/c15-14(16,17)13(9-1-5-11(6-2-9)18(20)21)10-3-7-12(8-4-10)19(22)23/h1-8,13H
InChI Key:
LJRFNQXPBYFIKQ-UHFFFAOYSA-N
SMILES:
ClC(C(c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)[N+](=O)[O-])(Cl)Cl
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
373.963g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
375.586g/mol
Monoisotopic Mass:
373.963g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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