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Home Halogens 1-(3-chloro-4-fluorophenyl)-4-(chloromethyl)-1H-1,2,3-triazole

1-(3-chloro-4-fluorophenyl)-4-(chloromethyl)-1H-1,2,3-triazole

CAS No.:
1249604-96-3
Catalog Number:
AG01A66I
Molecular Formula:
C9H6Cl2FN3
Molecular Weight:
246.0684
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Product Description
Catalog Number:
AG01A66I
Chemical Name:
1-(3-chloro-4-fluorophenyl)-4-(chloromethyl)-1H-1,2,3-triazole
CAS Number:
1249604-96-3
Molecular Formula:
C9H6Cl2FN3
Molecular Weight:
246.0684
MDL Number:
MFCD16748076
IUPAC Name:
1-(3-chloro-4-fluorophenyl)-4-(chloromethyl)triazole
InChI:
InChI=1S/C9H6Cl2FN3/c10-4-6-5-15(14-13-6)7-1-2-9(12)8(11)3-7/h1-3,5H,4H2
InChI Key:
LFRONVXGXQDPSL-UHFFFAOYSA-N
SMILES:
ClCc1nnn(c1)c1ccc(c(c1)Cl)F
Properties
Complexity:
220  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.992g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.066g/mol
Monoisotopic Mass:
244.992g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties