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113401-67-5 | 1H-1,2,4-Triazole, 3,5-dichloro-1-(2-propen-1-yl)-
CAS No: 113401-67-5 Catalog No: AG0008FK MDL No:
Product Description
Catalog Number:
AG0008FK
Chemical Name:
1H-1,2,4-Triazole, 3,5-dichloro-1-(2-propen-1-yl)-
CAS Number:
113401-67-5
Molecular Formula:
C5H5Cl2N3
Molecular Weight:
178.0193
IUPAC Name:
3,5-dichloro-1-prop-2-enyl-1,2,4-triazole
InChI:
InChI=1S/C5H5Cl2N3/c1-2-3-10-5(7)8-4(6)9-10/h2H,1,3H2
InChI Key:
PVGHBGRUQXVDSO-UHFFFAOYSA-N
SMILES:
Clc1nc(nn1CC=C)Cl
Properties
Complexity:
130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.986g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.016g/mol
Monoisotopic Mass:
176.986g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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