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Home > Quinoline > 1248046-16-3
1248046-16-3 | 2-methyl-1,2,3,4-tetrahydroisoquinoline-5-sulfonyl chloride
CAS No: 1248046-16-3 Catalog No: AG01C6K0 MDL No:MFCD16666839
Product Description
Catalog Number:
AG01C6K0
Chemical Name:
2-methyl-1,2,3,4-tetrahydroisoquinoline-5-sulfonyl chloride
CAS Number:
1248046-16-3
Molecular Formula:
C10H12ClNO2S
Molecular Weight:
245.7258
MDL Number:
MFCD16666839
IUPAC Name:
2-methyl-3,4-dihydro-1H-isoquinoline-5-sulfonyl chloride
InChI:
InChI=1S/C10H12ClNO2S/c1-12-6-5-9-8(7-12)3-2-4-10(9)15(11,13)14/h2-4H,5-7H2,1H3
InChI Key:
UHGBOWOOZWZPTP-UHFFFAOYSA-N
SMILES:
CN1CCc2c(C1)cccc2S(=O)(=O)Cl
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.028g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.721g/mol
Monoisotopic Mass:
245.028g/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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