Home Carboxys 1-(3,4-difluorophenyl)-1H-pyrazole-3-carboxylic acid

1-(3,4-difluorophenyl)-1H-pyrazole-3-carboxylic acid

CAS No.:
1152536-11-2
Catalog Number:
AG01CAE4
Molecular Formula:
C10H6F2N2O2
Molecular Weight:
224.1636
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Product Description
Catalog Number:
AG01CAE4
Chemical Name:
1-(3,4-difluorophenyl)-1H-pyrazole-3-carboxylic acid
CAS Number:
1152536-11-2
Molecular Formula:
C10H6F2N2O2
Molecular Weight:
224.1636
MDL Number:
MFCD10695719
IUPAC Name:
1-(3,4-difluorophenyl)pyrazole-3-carboxylic acid
InChI:
InChI=1S/C10H6F2N2O2/c11-7-2-1-6(5-8(7)12)14-4-3-9(13-14)10(15)16/h1-5H,(H,15,16)
InChI Key:
KCDDCLQAGDVJID-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccn(n1)c1ccc(c(c1)F)F
Properties
Complexity:
278  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.04g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
224.167g/mol
Monoisotopic Mass:
224.04g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties