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7394-78-7 | 1H-Indole-3-propanoic acid, 5-fluoro-
CAS No: 7394-78-7 Catalog No: AG005IV8 MDL No:MFCD10035279
Product Description
Catalog Number:
AG005IV8
Chemical Name:
1H-Indole-3-propanoic acid, 5-fluoro-
CAS Number:
7394-78-7
Molecular Formula:
C11H10FNO2
Molecular Weight:
207.2010
MDL Number:
MFCD10035279
IUPAC Name:
3-(5-fluoro-1H-indol-3-yl)propanoic acid
InChI:
InChI=1S/C11H10FNO2/c12-8-2-3-10-9(5-8)7(6-13-10)1-4-11(14)15/h2-3,5-6,13H,1,4H2,(H,14,15)
InChI Key:
VWGFABPQHOAUQY-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1c[nH]c2c1cc(F)cc2
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.07g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
207.204g/mol
Monoisotopic Mass:
207.07g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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