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

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

CAS No.:
2138555-23-2
Catalog Number:
AG01ELYD
Molecular Formula:
C5H6ClF2N3
Molecular Weight:
181.5710
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Product Description
Catalog Number:
AG01ELYD
Chemical Name:
4-(chloromethyl)-5-(difluoromethyl)-1-methyl-1H-1,2,3-triazole
CAS Number:
2138555-23-2
Molecular Formula:
C5H6ClF2N3
Molecular Weight:
181.5710
MDL Number:
MFCD31559041
IUPAC Name:
4-(chloromethyl)-5-(difluoromethyl)-1-methyltriazole
InChI:
InChI=1S/C5H6ClF2N3/c1-11-4(5(7)8)3(2-6)9-10-11/h5H,2H2,1H3
InChI Key:
MVSQRFWKAHQWQS-UHFFFAOYSA-N
SMILES:
ClCc1nnn(c1C(F)F)C
Properties
Complexity:
135  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.022g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.571g/mol
Monoisotopic Mass:
181.022g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties