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116227-75-9 | 1H-Pyrazole, 5-chloro-4-[2-(4-chlorophenyl)diazenyl]-3-methyl-1-phenyl-
CAS No: 116227-75-9 Catalog No: AG000BZD MDL No:
Product Description
Catalog Number:
AG000BZD
Chemical Name:
1H-Pyrazole, 5-chloro-4-[2-(4-chlorophenyl)diazenyl]-3-methyl-1-phenyl-
CAS Number:
116227-75-9
Molecular Formula:
C16H12Cl2N4
Molecular Weight:
331.1993
IUPAC Name:
(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-(4-chlorophenyl)diazene
InChI:
InChI=1S/C16H12Cl2N4/c1-11-15(20-19-13-9-7-12(17)8-10-13)16(18)22(21-11)14-5-3-2-4-6-14/h2-10H,1H3
InChI Key:
BXILTZCPDPFJJP-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)N=Nc1c(C)nn(c1Cl)c1ccccc1
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.044g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
331.2g/mol
Monoisotopic Mass:
330.044g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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