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Home > Indoles and Oxindole > 1935377-17-5
1935377-17-5 | 3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-2,2-dimethylpropane-1-sulfonyl chloride
CAS No: 1935377-17-5 Catalog No: AG01AP5U MDL No:MFCD30476067
Product Description
Catalog Number:
AG01AP5U
Chemical Name:
3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-2,2-dimethylpropane-1-sulfonyl chloride
CAS Number:
1935377-17-5
Molecular Formula:
C13H14ClNO4S
Molecular Weight:
315.7726
MDL Number:
MFCD30476067
IUPAC Name:
3-(1,3-dioxoisoindol-2-yl)-2,2-dimethylpropane-1-sulfonyl chloride
InChI:
InChI=1S/C13H14ClNO4S/c1-13(2,8-20(14,18)19)7-15-11(16)9-5-3-4-6-10(9)12(15)17/h3-6H,7-8H2,1-2H3
InChI Key:
KONCLKJNCZWBPW-UHFFFAOYSA-N
SMILES:
CC(CS(=O)(=O)Cl)(CN1C(=O)c2c(C1=O)cccc2)C
Properties
Complexity:
499
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.033g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
315.768g/mol
Monoisotopic Mass:
315.033g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
79.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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