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1077-96-9 | 5-Fluoro-1H-indazole-3-carboxylic acid
CAS No: 1077-96-9 Catalog No: AG003MQB MDL No:MFCD03840628
Product Description
Catalog Number:
AG003MQB
Chemical Name:
5-Fluoro-1H-indazole-3-carboxylic acid
CAS Number:
1077-96-9
Molecular Formula:
C8H5FN2O2
Molecular Weight:
180.1359
MDL Number:
MFCD03840628
IUPAC Name:
5-fluoro-1H-indazole-3-carboxylic acid
InChI:
InChI=1S/C8H5FN2O2/c9-4-1-2-6-5(3-4)7(8(12)13)11-10-6/h1-3H,(H,10,11)(H,12,13)
InChI Key:
XFHIMKNXBUKQNS-UHFFFAOYSA-N
SMILES:
OC(=O)c1n[nH]c2c1cc(F)cc2
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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