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Home > Indoles and Oxindole > 128810-32-2
128810-32-2 | indolin-5-yl methanesulfonate
CAS No: 128810-32-2 Catalog No: AG01DJVM MDL No:MFCD24586885
Product Description
Catalog Number:
AG01DJVM
Chemical Name:
indolin-5-yl methanesulfonate
CAS Number:
128810-32-2
Molecular Formula:
C9H11NO3S
Molecular Weight:
213.2535
MDL Number:
MFCD24586885
IUPAC Name:
2,3-dihydro-1H-indol-5-yl methanesulfonate
InChI:
InChI=1S/C9H11NO3S/c1-14(11,12)13-8-2-3-9-7(6-8)4-5-10-9/h2-3,6,10H,4-5H2,1H3
InChI Key:
ZGTVOVRVYCAOLZ-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)Oc1ccc2c(c1)CCN2
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.046g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
213.251g/mol
Monoisotopic Mass:
213.046g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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