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142022-61-5 | Benzene, 1,2,3-trichloro-4-(4-nitrophenoxy)-
CAS No: 142022-61-5 Catalog No: AG001HK6 MDL No:
Product Description
Catalog Number:
AG001HK6
Chemical Name:
Benzene, 1,2,3-trichloro-4-(4-nitrophenoxy)-
CAS Number:
142022-61-5
Molecular Formula:
C12H6Cl3NO3
Molecular Weight:
318.5399
IUPAC Name:
1,2,3-trichloro-4-[5-nitro-2-[4-nitro-2-(2,3,4-trichlorophenyl)phenoxy]phenyl]benzene
InChI:
InChI=1S/C24H10Cl6N2O5/c25-17-5-3-13(21(27)23(17)29)15-9-11(31(33)34)1-7-19(15)37-20-8-2-12(32(35)36)10-16(20)14-4-6-18(26)24(30)22(14)28/h1-10H
InChI Key:
YWKYTJJAEKKQLP-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)Oc1ccc(c(c1Cl)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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