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309915-20-6 | 1H-Indole-5-carboxylic acid, 6-chloro-3-(methylthio)-, methyl ester
CAS No: 309915-20-6 Catalog No: AG0031UG MDL No:
Product Description
Catalog Number:
AG0031UG
Chemical Name:
1H-Indole-5-carboxylic acid, 6-chloro-3-(methylthio)-, methyl ester
CAS Number:
309915-20-6
Molecular Formula:
C11H10ClNO2S
Molecular Weight:
255.7206
IUPAC Name:
methyl 6-chloro-3-methylsulfanyl-1H-indole-5-carboxylate
InChI:
InChI=1S/C11H10ClNO2S/c1-15-11(14)6-3-7-9(4-8(6)12)13-5-10(7)16-2/h3-5,13H,1-2H3
InChI Key:
SVIOIQKLBHHYPL-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc2c(SC)c[nH]c2cc1Cl
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.012g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
255.716g/mol
Monoisotopic Mass:
255.012g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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