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Home > Indoles and Oxindole > 2091631-12-6
2091631-12-6 | 2,3-dioxo-2,3-dihydro-1H-indole-6-sulfonyl chloride
CAS No: 2091631-12-6 Catalog No: AG01AHHV MDL No:
Product Description
Catalog Number:
AG01AHHV
Chemical Name:
2,3-dioxo-2,3-dihydro-1H-indole-6-sulfonyl chloride
CAS Number:
2091631-12-6
Molecular Formula:
C8H4ClNO4S
Molecular Weight:
245.6397
IUPAC Name:
2,3-dioxo-1H-indole-6-sulfonyl chloride
InChI:
InChI=1S/C8H4ClNO4S/c9-15(13,14)4-1-2-5-6(3-4)10-8(12)7(5)11/h1-3H,(H,10,11,12)
InChI Key:
RDLZWWCMNDVEKZ-UHFFFAOYSA-N
SMILES:
O=C1C(=O)Nc2c1ccc(c2)S(=O)(=O)Cl
Properties
Complexity:
413
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.955g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.633g/mol
Monoisotopic Mass:
244.955g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
88.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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