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849035-87-6 | 1H-Indole-2-carboxylicacid, 5-fluoro-7-(methylsulfonyl)-
CAS No: 849035-87-6 Catalog No: AG004Q1I MDL No:MFCD04037958
Product Description
Catalog Number:
AG004Q1I
Chemical Name:
1H-Indole-2-carboxylicacid, 5-fluoro-7-(methylsulfonyl)-
CAS Number:
849035-87-6
Molecular Formula:
C10H8FNO4S
Molecular Weight:
257.2382
MDL Number:
MFCD04037958
IUPAC Name:
5-fluoro-7-methylsulfonyl-1H-indole-2-carboxylic acid
InChI:
InChI=1S/C10H8FNO4S/c1-17(15,16)8-4-6(11)2-5-3-7(10(13)14)12-9(5)8/h2-4,12H,1H3,(H,13,14)
InChI Key:
WNCWFIMFLBFIRS-UHFFFAOYSA-N
SMILES:
Fc1cc2cc([nH]c2c(c1)S(=O)(=O)C)C(=O)O
Properties
Complexity:
419
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.016g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
257.235g/mol
Monoisotopic Mass:
257.016g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
95.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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