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858515-66-9 | 7-Fluoro-1H-indole-3-carboxylic acid
CAS No: 858515-66-9 Catalog No: AG004R50 MDL No:MFCD09954940
Product Description
Catalog Number:
AG004R50
Chemical Name:
7-Fluoro-1H-indole-3-carboxylic acid
CAS Number:
858515-66-9
Molecular Formula:
C9H6FNO2
Molecular Weight:
179.1478
MDL Number:
MFCD09954940
IUPAC Name:
7-fluoro-1H-indole-3-carboxylic acid
InChI:
InChI=1S/C9H6FNO2/c10-7-3-1-2-5-6(9(12)13)4-11-8(5)7/h1-4,11H,(H,12,13)
InChI Key:
BGNHSQYGVIUBBX-UHFFFAOYSA-N
SMILES:
OC(=O)c1c[nH]c2c1cccc2F
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.038g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
179.15g/mol
Monoisotopic Mass:
179.038g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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