Home Halogens 3-chloro-4-ethyl-5-phenyl-4H-1,2,4-triazole

3-chloro-4-ethyl-5-phenyl-4H-1,2,4-triazole

CAS No.:
1019032-87-1
Catalog Number:
AG019MR0
Molecular Formula:
C10H10ClN3
Molecular Weight:
207.6595
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Product Description
Catalog Number:
AG019MR0
Chemical Name:
3-chloro-4-ethyl-5-phenyl-4H-1,2,4-triazole
CAS Number:
1019032-87-1
Molecular Formula:
C10H10ClN3
Molecular Weight:
207.6595
MDL Number:
MFCD09995790
IUPAC Name:
3-chloro-4-ethyl-5-phenyl-1,2,4-triazole
InChI:
InChI=1S/C10H10ClN3/c1-2-14-9(12-13-10(14)11)8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChI Key:
DAAHNZXCOMYAHW-UHFFFAOYSA-N
SMILES:
CCn1c(Cl)nnc1c1ccccc1
Properties
Complexity:
182  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.056g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.661g/mol
Monoisotopic Mass:
207.056g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties