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195987-27-0 | 3,4-dihydroisoquinoline-2(1H)-sulfonyl chloride
CAS No: 195987-27-0 Catalog No: AG00ACTL MDL No:MFCD08443056
Product Description
Catalog Number:
AG00ACTL
Chemical Name:
3,4-dihydroisoquinoline-2(1H)-sulfonyl chloride
CAS Number:
195987-27-0
Molecular Formula:
C9H10ClNO2S
Molecular Weight:
231.6992
MDL Number:
MFCD08443056
IUPAC Name:
3,4-dihydro-1H-isoquinoline-2-sulfonyl chloride
InChI:
InChI=1S/C9H10ClNO2S/c10-14(12,13)11-6-5-8-3-1-2-4-9(8)7-11/h1-4H,5-7H2
InChI Key:
BFBQTBDTSDOYAE-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:
231.012g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.694g/mol
Monoisotopic Mass:
231.012g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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