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145691-51-6 | 2H-Isoindole-2-sulfonyl chloride, 1,3-dihydro-
CAS No: 145691-51-6 Catalog No: AG001DB2 MDL No:MFCD28678586
Product Description
Catalog Number:
AG001DB2
Chemical Name:
2H-Isoindole-2-sulfonyl chloride, 1,3-dihydro-
CAS Number:
145691-51-6
Molecular Formula:
C8H8ClNO2S
Molecular Weight:
217.6726
MDL Number:
MFCD28678586
IUPAC Name:
1,3-dihydroisoindole-2-sulfonyl chloride
InChI:
InChI=1S/C8H8ClNO2S/c9-13(11,12)10-5-7-3-1-2-4-8(7)6-10/h1-4H,5-6H2
InChI Key:
WQVMPINLJGNOLY-UHFFFAOYSA-N
SMILES:
ClS(=O)(=O)N1Cc2c(C1)cccc2
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.996g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.667g/mol
Monoisotopic Mass:
216.996g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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