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167631-50-7 | 1H-Indole-2-carboxylic acid, 5-fluoro-1-methyl-
CAS No: 167631-50-7 Catalog No: AG001XI1 MDL No:MFCD03848204
Product Description
Catalog Number:
AG001XI1
Chemical Name:
1H-Indole-2-carboxylic acid, 5-fluoro-1-methyl-
CAS Number:
167631-50-7
Molecular Formula:
C10H8FNO2
Molecular Weight:
193.1744
MDL Number:
MFCD03848204
IUPAC Name:
5-fluoro-1-methylindole-2-carboxylic acid
InChI:
InChI=1S/C10H8FNO2/c1-12-8-3-2-7(11)4-6(8)5-9(12)10(13)14/h2-5H,1H3,(H,13,14)
InChI Key:
ZOPXUHDPGGHISS-UHFFFAOYSA-N
SMILES:
Fc1ccc2c(c1)cc(n2C)C(=O)O
Properties
Complexity:
246
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:
1
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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