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923130-51-2 | decahydroisoquinoline-2-sulfonyl chloride
CAS No: 923130-51-2 Catalog No: AG019Q09 MDL No:MFCD08444923
Product Description
Catalog Number:
AG019Q09
Chemical Name:
decahydroisoquinoline-2-sulfonyl chloride
CAS Number:
923130-51-2
Molecular Formula:
C9H16ClNO2S
Molecular Weight:
237.7468
MDL Number:
MFCD08444923
IUPAC Name:
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-sulfonyl chloride
InChI:
InChI=1S/C9H16ClNO2S/c10-14(12,13)11-6-5-8-3-1-2-4-9(8)7-11/h8-9H,1-7H2
InChI Key:
UXYLNEDQPMFVRY-UHFFFAOYSA-N
SMILES:
ClS(=O)(=O)N1CCC2C(C1)CCCC2
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.059g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.742g/mol
Monoisotopic Mass:
237.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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