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115201-45-1 | 1H-1,2,4-Triazole, 1-[(3,4-dichlorophenyl)methyl]-
CAS No: 115201-45-1 Catalog No: AG000GFU MDL No:
Product Description
Catalog Number:
AG000GFU
Chemical Name:
1H-1,2,4-Triazole, 1-[(3,4-dichlorophenyl)methyl]-
CAS Number:
115201-45-1
Molecular Formula:
C9H7Cl2N3
Molecular Weight:
228.0780
IUPAC Name:
1-[(3,4-dichlorophenyl)methyl]-1,2,4-triazole
InChI:
InChI=1S/C9H7Cl2N3/c10-8-2-1-7(3-9(8)11)4-14-6-12-5-13-14/h1-3,5-6H,4H2
InChI Key:
ZROKMGPXVOUISG-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1Cl)Cn1cncn1
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.002g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.076g/mol
Monoisotopic Mass:
227.002g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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