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1220039-52-0 | 1H-Indole-3-carboxylic acid, 4-fluoro-, methyl ester
CAS No: 1220039-52-0 Catalog No: AG0016L2 MDL No:MFCD09841615
Product Description
Catalog Number:
AG0016L2
Chemical Name:
1H-Indole-3-carboxylic acid, 4-fluoro-, methyl ester
CAS Number:
1220039-52-0
Molecular Formula:
C10H8FNO2
Molecular Weight:
193.1744
MDL Number:
MFCD09841615
IUPAC Name:
methyl 4-fluoro-1H-indole-3-carboxylate
InChI:
InChI=1S/C10H8FNO2/c1-14-10(13)6-5-12-8-4-2-3-7(11)9(6)8/h2-5,12H,1H3
InChI Key:
JADKJZGVQAWWPT-UHFFFAOYSA-N
SMILES:
COC(=O)c1c[nH]c2c1c(F)ccc2
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.054g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
193.177g/mol
Monoisotopic Mass:
193.054g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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