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199603-85-5 | 1H-Indole-2-carboxylic acid, 5-fluoro-3-formyl-, ethyl ester
CAS No: 199603-85-5 Catalog No: AG002C87 MDL No:
Product Description
Catalog Number:
AG002C87
Chemical Name:
1H-Indole-2-carboxylic acid, 5-fluoro-3-formyl-, ethyl ester
CAS Number:
199603-85-5
Molecular Formula:
C12H10FNO3
Molecular Weight:
235.2111
IUPAC Name:
ethyl 5-fluoro-3-formyl-1H-indole-2-carboxylate
InChI:
InChI=1S/C12H10FNO3/c1-2-17-12(16)11-9(6-15)8-5-7(13)3-4-10(8)14-11/h3-6,14H,2H2,1H3
InChI Key:
IETRZXCTCCBKSO-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1[nH]c2c(c1C=O)cc(cc2)F
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.064g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.214g/mol
Monoisotopic Mass:
235.064g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
59.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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