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142022-58-0 | Benzene, 1,2,4-trichloro-3-(4-nitrophenoxy)-
CAS No: 142022-58-0 Catalog No: AG001HK8 MDL No:
Product Description
Catalog Number:
AG001HK8
Chemical Name:
Benzene, 1,2,4-trichloro-3-(4-nitrophenoxy)-
CAS Number:
142022-58-0
Molecular Formula:
C12H6Cl3NO3
Molecular Weight:
318.5399
IUPAC Name:
1,2,4-trichloro-3-[5-nitro-2-[4-nitro-2-(2,3,6-trichlorophenyl)phenoxy]phenyl]benzene
InChI:
InChI=1S/C24H10Cl6N2O5/c25-15-3-5-17(27)23(29)21(15)13-9-11(31(33)34)1-7-19(13)37-20-8-2-12(32(35)36)10-14(20)22-16(26)4-6-18(28)24(22)30/h1-10H
InChI Key:
GHFXXCLQFUFADK-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1Oc1ccc(cc1)[N+](=O)[O-])Cl)Cl
Properties
Complexity:
754
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
617.869g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
619.053g/mol
Monoisotopic Mass:
615.872g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.1
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