Home Halogens 1-[2-(chloromethyl)phenyl]-1H-1,2,4-triazole

1-[2-(chloromethyl)phenyl]-1H-1,2,4-triazole

CAS No.:
1038975-25-5
Catalog Number:
AG009MH9
Molecular Formula:
C9H8ClN3
Molecular Weight:
193.6329
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Product Description
Catalog Number:
AG009MH9
Chemical Name:
1-[2-(chloromethyl)phenyl]-1H-1,2,4-triazole
CAS Number:
1038975-25-5
Molecular Formula:
C9H8ClN3
Molecular Weight:
193.6329
MDL Number:
MFCD11190567
IUPAC Name:
1-[2-(chloromethyl)phenyl]-1,2,4-triazole
InChI:
InChI=1S/C9H8ClN3/c10-5-8-3-1-2-4-9(8)13-7-11-6-12-13/h1-4,6-7H,5H2
InChI Key:
BRDPHGWNETYLJG-UHFFFAOYSA-N
SMILES:
ClCc1ccccc1n1cncn1
Properties
Complexity:
165  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.041g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
193.634g/mol
Monoisotopic Mass:
193.041g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties