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

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

CAS No.:
1039876-00-0
Catalog Number:
AG01A4SM
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG01A4SM
Chemical Name:
1-(3-chloro-2-fluorophenyl)-1H-1,2,3-triazole-4-carboxylic acid
CAS Number:
1039876-00-0
MDL Number:
MFCD11192456
IUPAC Name:
1-(3-chloro-2-fluorophenyl)triazole-4-carboxylic acid
InChI:
InChI=1S/C9H5ClFN3O2/c10-5-2-1-3-7(8(5)11)14-4-6(9(15)16)12-13-14/h1-4H,(H,15,16)
InChI Key:
MWMTVCVBEKDLTP-UHFFFAOYSA-N
Properties
Complexity:
282  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.005g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
241.606g/mol
Monoisotopic Mass:
241.005g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties