Text Search
Structure Search

5-fluoro-7-methanesulfonyl-1H-indole-2-carboxylic acid

5-fluoro-7-methanesulfonyl-1H-indole-2-carboxylic acid

CAS: 849035-87-6

Formula: C10H8FNO4S

SMILES: CS(=O)(=O)C1=C2NC(=CC2=CC(F)=C1)C(O)=O

IUPAC: 5-fluoro-7-methanesulfonyl-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)

Composition: C (46.69%), H (3.13%), F (7.39%), N (5.45%), O (24.88%), S (12.46%)

Molar Mass: 257.24

Atom Count: 25

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 257.015807079
Formal Charge 0
FSP3 0.1
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey WNCWFIMFLBFIRS-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 58.5
Topological Polar Surface Area 87.23
Polarizability 23.63
Ring Count 2
Rotatable Bond Count 2

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Key Organics Ltd
Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 849035-87-6 $51.35-$86.31$51.35$63.37$86.31
Request Quote