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88427-38-7 | 1H-1,2,4-Triazole, 1-[3-chloro-2-(2-fluorophenyl)-3-phenyl-2-propenyl]-
CAS No: 88427-38-7 Catalog No: AG004ESI MDL No:
Product Description
Catalog Number:
AG004ESI
Chemical Name:
1H-1,2,4-Triazole, 1-[3-chloro-2-(2-fluorophenyl)-3-phenyl-2-propenyl]-
CAS Number:
88427-38-7
Molecular Formula:
C17H13ClFN3
Molecular Weight:
313.7566
IUPAC Name:
1-[3-chloro-2-(2-fluorophenyl)-3-phenylprop-2-enyl]-1,2,4-triazole
InChI:
InChI=1S/C17H13ClFN3/c18-17(13-6-2-1-3-7-13)15(10-22-12-20-11-21-22)14-8-4-5-9-16(14)19/h1-9,11-12H,10H2
InChI Key:
FOIIXLJDUQFZNZ-UHFFFAOYSA-N
SMILES:
Fc1ccccc1C(=C(c1ccccc1)Cl)Cn1cncn1
Properties
Complexity:
395
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.078g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.76g/mol
Monoisotopic Mass:
313.078g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.6
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