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129295-30-3 | 1H-Indazole-3-carboxylic acid, 6-fluoro-
CAS No: 129295-30-3 Catalog No: AG000Z2F MDL No:MFCD03840713
Product Description
Catalog Number:
AG000Z2F
Chemical Name:
1H-Indazole-3-carboxylic acid, 6-fluoro-
CAS Number:
129295-30-3
Molecular Formula:
C8H5FN2O2
Molecular Weight:
180.1359
MDL Number:
MFCD03840713
IUPAC Name:
6-fluoro-1H-indazole-3-carboxylic acid
InChI:
InChI=1S/C8H5FN2O2/c9-4-1-2-5-6(3-4)10-11-7(5)8(12)13/h1-3H,(H,10,11)(H,12,13)
InChI Key:
KNPFUABTEGLQBG-UHFFFAOYSA-N
SMILES:
Fc1ccc2c(c1)[nH]nc2C(=O)O
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.034g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
180.138g/mol
Monoisotopic Mass:
180.034g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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