Home Halogens 5-(chloromethyl)-1-phenyl-1H-1,2,4-triazole

5-(chloromethyl)-1-phenyl-1H-1,2,4-triazole

CAS No.:
114370-76-2
Catalog Number:
AG01BHBK
Molecular Formula:
C9H8ClN3
Molecular Weight:
193.6329
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01BHBK
Chemical Name:
5-(chloromethyl)-1-phenyl-1H-1,2,4-triazole
CAS Number:
114370-76-2
Molecular Formula:
C9H8ClN3
Molecular Weight:
193.6329
IUPAC Name:
5-(chloromethyl)-1-phenyl-1,2,4-triazole
InChI:
InChI=1S/C9H8ClN3/c10-6-9-11-7-12-13(9)8-4-2-1-3-5-8/h1-5,7H,6H2
InChI Key:
DPCODPMVVLMMLR-UHFFFAOYSA-N
SMILES:
ClCc1ncnn1c1ccccc1
Properties
Complexity:
159  
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