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141327-54-0 | 1H-Indole-2-carboxylic acid, 3-(4-fluorophenyl)-5-methyl-, methyl ester
CAS No: 141327-54-0 Catalog No: AG001G7F MDL No:
Product Description
Catalog Number:
AG001G7F
Chemical Name:
1H-Indole-2-carboxylic acid, 3-(4-fluorophenyl)-5-methyl-, methyl ester
CAS Number:
141327-54-0
Molecular Formula:
C17H14FNO2
Molecular Weight:
283.2970
IUPAC Name:
methyl 3-(4-fluorophenyl)-5-methyl-1H-indole-2-carboxylate
InChI:
InChI=1S/C17H14FNO2/c1-10-3-8-14-13(9-10)15(16(19-14)17(20)21-2)11-4-6-12(18)7-5-11/h3-9,19H,1-2H3
InChI Key:
TVRIEWUGJXZDQN-UHFFFAOYSA-N
SMILES:
COC(=O)c1[nH]c2c(c1c1ccc(cc1)F)cc(cc2)C
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.101g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
283.302g/mol
Monoisotopic Mass:
283.101g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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