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88427-09-2 | 1H-1,2,4-Triazole, 1-[3-chloro-3-(4-chlorophenyl)-2-phenyl-2-propenyl]-
CAS No: 88427-09-2 Catalog No: AG004HQH MDL No:
Product Description
Catalog Number:
AG004HQH
Chemical Name:
1H-1,2,4-Triazole, 1-[3-chloro-3-(4-chlorophenyl)-2-phenyl-2-propenyl]-
CAS Number:
88427-09-2
Molecular Formula:
C17H13Cl2N3
Molecular Weight:
330.2112
IUPAC Name:
1-[3-chloro-3-(4-chlorophenyl)-2-phenylprop-2-enyl]-1,2,4-triazole
InChI:
InChI=1S/C17H13Cl2N3/c18-15-8-6-14(7-9-15)17(19)16(10-22-12-20-11-21-22)13-4-2-1-3-5-13/h1-9,11-12H,10H2
InChI Key:
JXFGDFLEMWLCMH-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)C(=C(c1ccccc1)Cn1cncn1)Cl
Properties
Complexity:
385
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.049g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
330.212g/mol
Monoisotopic Mass:
329.049g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.2
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