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Home > Indoles and Oxindole > 1846738-42-8
1846738-42-8 | rac-(3aR,7aS)-octahydro-1H-isoindole-2-sulfonyl chloride, cis
CAS No: 1846738-42-8 Catalog No: AG01DZ4E MDL No:
Product Description
Catalog Number:
AG01DZ4E
Chemical Name:
rac-(3aR,7aS)-octahydro-1H-isoindole-2-sulfonyl chloride, cis
CAS Number:
1846738-42-8
Molecular Formula:
C8H14ClNO2S
Molecular Weight:
223.7203
IUPAC Name:
(3aS,7aR)-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-sulfonyl chloride
InChI:
InChI=1S/C8H14ClNO2S/c9-13(11,12)10-5-7-3-1-2-4-8(7)6-10/h7-8H,1-6H2/t7-,8+
InChI Key:
SKPCNUACPXGBOH-OCAPTIKFSA-N
SMILES:
ClS(=O)(=O)N1C[C@@H]2[C@H](C1)CCCC2
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
223.043g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.715g/mol
Monoisotopic Mass:
223.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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