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129295-33-6 | 1H-Indazole-3-carboxylic acid, 5,6-difluoro-
CAS No: 129295-33-6 Catalog No: AG000Z2C MDL No:MFCD05663995
Product Description
Catalog Number:
AG000Z2C
Chemical Name:
1H-Indazole-3-carboxylic acid, 5,6-difluoro-
CAS Number:
129295-33-6
Molecular Formula:
C8H4F2N2O2
Molecular Weight:
198.1264
MDL Number:
MFCD05663995
IUPAC Name:
5,6-difluoro-1H-indazole-3-carboxylic acid
InChI:
InChI=1S/C8H4F2N2O2/c9-4-1-3-6(2-5(4)10)11-12-7(3)8(13)14/h1-2H,(H,11,12)(H,13,14)
InChI Key:
NKVHNRMDLDYXKZ-UHFFFAOYSA-N
SMILES:
OC(=O)c1n[nH]c2c1cc(F)c(c2)F
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.024g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
198.129g/mol
Monoisotopic Mass:
198.024g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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