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89047-58-5 | Benzene, 1,2,3-trichloro-5-(2,4-dichlorophenoxy)-4-nitro-
CAS No: 89047-58-5 Catalog No: AG00431Y MDL No:
Product Description
Catalog Number:
AG00431Y
Chemical Name:
Benzene, 1,2,3-trichloro-5-(2,4-dichlorophenoxy)-4-nitro-
CAS Number:
89047-58-5
Molecular Formula:
C12H4Cl5NO3
Molecular Weight:
387.4301
IUPAC Name:
1,2,3-trichloro-5-(2,4-dichlorophenoxy)-4-nitrobenzene
InChI:
InChI=1S/C12H4Cl5NO3/c13-5-1-2-8(6(14)3-5)21-9-4-7(15)10(16)11(17)12(9)18(19)20/h1-4H
InChI Key:
YBQXZKGMGCVLQX-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)Cl)Oc1cc(Cl)c(c(c1[N+](=O)[O-])Cl)Cl
Properties
Complexity:
382
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
386.86g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
387.418g/mol
Monoisotopic Mass:
384.863g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
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