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85386-69-2 | Benz(cd)indole-1(2H)-acetic acid, 6-fluoro-2-thioxo-
CAS No: 85386-69-2 Catalog No: AG004OXD MDL No:
Product Description
Catalog Number:
AG004OXD
Chemical Name:
Benz(cd)indole-1(2H)-acetic acid, 6-fluoro-2-thioxo-
CAS Number:
85386-69-2
Molecular Formula:
C13H8FNO2S
Molecular Weight:
261.2715
IUPAC Name:
2-(6-fluoro-2-sulfanylidenebenzo[cd]indol-1-yl)acetic acid
InChI:
InChI=1S/C13H8FNO2S/c14-9-4-5-10-12-7(9)2-1-3-8(12)13(18)15(10)6-11(16)17/h1-5H,6H2,(H,16,17)
InChI Key:
WXINCTZWMSULLM-UHFFFAOYSA-N
SMILES:
OC(=O)Cn1c(=S)c2c3c1ccc(c3ccc2)F
Properties
Complexity:
389
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.026g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
261.27g/mol
Monoisotopic Mass:
261.026g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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