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89160-26-9 | 1,1'-Biphenyl, 2,4',5-trichloro-3-nitro-
CAS No: 89160-26-9 Catalog No: AG003WY6 MDL No:
Product Description
Catalog Number:
AG003WY6
Chemical Name:
1,1'-Biphenyl, 2,4',5-trichloro-3-nitro-
CAS Number:
89160-26-9
Molecular Formula:
C12H6Cl3NO2
Molecular Weight:
302.5405
IUPAC Name:
2,5-dichloro-1-(4-chlorophenyl)-3-nitrobenzene
InChI:
InChI=1S/C12H6Cl3NO2/c13-8-3-1-7(2-4-8)10-5-9(14)6-11(12(10)15)16(17)18/h1-6H
InChI Key:
UCWSVTNHTGBHDN-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)c1cc(Cl)cc(c1Cl)[N+](=O)[O-]
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.946g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.535g/mol
Monoisotopic Mass:
300.946g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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