Home Halogens 5-(4-chlorobenzyl)-3-methyl-1H-1,2,4-triazole

5-(4-chlorobenzyl)-3-methyl-1H-1,2,4-triazole

CAS No.:
1094760-12-9
Catalog Number:
AG01BJ9K
Molecular Formula:
C10H10ClN3
Molecular Weight:
207.6595
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Product Description
Catalog Number:
AG01BJ9K
Chemical Name:
5-(4-chlorobenzyl)-3-methyl-1H-1,2,4-triazole
CAS Number:
1094760-12-9
Molecular Formula:
C10H10ClN3
Molecular Weight:
207.6595
MDL Number:
MFCD11215070
IUPAC Name:
3-[(4-chlorophenyl)methyl]-5-methyl-1H-1,2,4-triazole
InChI:
InChI=1S/C10H10ClN3/c1-7-12-10(14-13-7)6-8-2-4-9(11)5-3-8/h2-5H,6H2,1H3,(H,12,13,14)
InChI Key:
QEXAATUILWZHEJ-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)Cc1[nH]nc(n1)C
Properties
Complexity:
180  
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:
1  
Isotope Atom Count:
0
Molecular Weight:
207.661g/mol
Monoisotopic Mass:
207.056g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties