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1016-36-0 | 1H-Indazole-3-carboxylic acid, 5-fluoro-, ethyl ester
CAS No: 1016-36-0 Catalog No: AG0004Y8 MDL No:MFCD07371577
Product Description
Catalog Number:
AG0004Y8
Chemical Name:
1H-Indazole-3-carboxylic acid, 5-fluoro-, ethyl ester
CAS Number:
1016-36-0
Molecular Formula:
C10H9FN2O2
Molecular Weight:
208.1891
MDL Number:
MFCD07371577
IUPAC Name:
ethyl 5-fluoro-1H-indazole-3-carboxylate
InChI:
InChI=1S/C10H9FN2O2/c1-2-15-10(14)9-7-5-6(11)3-4-8(7)12-13-9/h3-5H,2H2,1H3,(H,12,13)
InChI Key:
LLPYNEVKCQMQBK-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1n[nH]c2c1cc(F)cc2
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.065g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.192g/mol
Monoisotopic Mass:
208.065g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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