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1252782-43-6 | 1H-Indole-5-carboxylic acid, 4-fluoro-, Methyl ester
CAS No: 1252782-43-6 Catalog No: AG000NF7 MDL No:MFCD21336690
Product Description
Catalog Number:
AG000NF7
Chemical Name:
1H-Indole-5-carboxylic acid, 4-fluoro-, Methyl ester
CAS Number:
1252782-43-6
Molecular Formula:
C10H8FNO2
Molecular Weight:
193.1744
MDL Number:
MFCD21336690
IUPAC Name:
methyl 4-fluoro-1H-indole-5-carboxylate
InChI:
InChI=1S/C10H8FNO2/c1-14-10(13)7-2-3-8-6(9(7)11)4-5-12-8/h2-5,12H,1H3
InChI Key:
XMAMXSQVTKMOPG-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc2c(c1F)cc[nH]2
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
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