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1252782-39-0 | 1H-Indole-6-carboxylic acid, 3-fluoro-, methyl ester
CAS No: 1252782-39-0 Catalog No: AG000NF8 MDL No:
Product Description
Catalog Number:
AG000NF8
Chemical Name:
1H-Indole-6-carboxylic acid, 3-fluoro-, methyl ester
CAS Number:
1252782-39-0
Molecular Formula:
C10H8FNO2
Molecular Weight:
193.1744
IUPAC Name:
methyl 3-fluoro-1H-indole-6-carboxylate
InChI:
InChI=1S/C10H8FNO2/c1-14-10(13)6-2-3-7-8(11)5-12-9(7)4-6/h2-5,12H,1H3
InChI Key:
XEGICFDJGZPFMA-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc2c(c1)[nH]cc2F
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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