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1167055-90-4 | 1H-Indole-2,7-dicarboxylic acid, 5-fluoro-, 2-ethyl ester
CAS No: 1167055-90-4 Catalog No: AG000D1L MDL No:
Product Description
Catalog Number:
AG000D1L
Chemical Name:
1H-Indole-2,7-dicarboxylic acid, 5-fluoro-, 2-ethyl ester
CAS Number:
1167055-90-4
Molecular Formula:
C12H9FNO4-
Molecular Weight:
250.2026
IUPAC Name:
2-ethoxycarbonyl-5-fluoro-1H-indole-7-carboxylic acid
InChI:
InChI=1S/C12H10FNO4/c1-2-18-12(17)9-4-6-3-7(13)5-8(11(15)16)10(6)14-9/h3-5,14H,2H2,1H3,(H,15,16)
InChI Key:
KCHYQDXDCAMAPD-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc2c([nH]1)c(cc(c2)F)C(=O)[O-]
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.059g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
251.213g/mol
Monoisotopic Mass:
251.059g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
79.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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