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89220-74-6 | 1H-1,2,4-Triazole, 1-[2-(3-chlorophenyl)-2-propenyl]-
CAS No: 89220-74-6 Catalog No: AG0043MA MDL No:
Product Description
Catalog Number:
AG0043MA
Chemical Name:
1H-1,2,4-Triazole, 1-[2-(3-chlorophenyl)-2-propenyl]-
CAS Number:
89220-74-6
Molecular Formula:
C11H10ClN3
Molecular Weight:
219.6702
IUPAC Name:
1-[2-(3-chlorophenyl)prop-2-enyl]-1,2,4-triazole
InChI:
InChI=1S/C11H10ClN3/c1-9(6-15-8-13-7-14-15)10-3-2-4-11(12)5-10/h2-5,7-8H,1,6H2
InChI Key:
RESVEVIUIDDHMM-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)C(=C)Cn1cncn1
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.056g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.672g/mol
Monoisotopic Mass:
219.056g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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