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Home > Quinoline > 1955520-47-4
1955520-47-4 | 2-methyl-1,2,3,4-tetrahydroisoquinoline-5-sulfonyl chloride hydrochloride
CAS No: 1955520-47-4 Catalog No: AG01C5MY MDL No:MFCD29991435
Product Description
Catalog Number:
AG01C5MY
Chemical Name:
2-methyl-1,2,3,4-tetrahydroisoquinoline-5-sulfonyl chloride hydrochloride
CAS Number:
1955520-47-4
Molecular Formula:
C10H13Cl2NO2S
Molecular Weight:
282.1867
MDL Number:
MFCD29991435
IUPAC Name:
2-methyl-3,4-dihydro-1H-isoquinoline-5-sulfonyl chloride;hydrochloride
InChI:
InChI=1S/C10H12ClNO2S.ClH/c1-12-6-5-9-8(7-12)3-2-4-10(9)15(11,13)14;/h2-4H,5-7H2,1H3;1H
InChI Key:
NJRTWIOTCHTXIZ-UHFFFAOYSA-N
SMILES:
CN1CCc2c(C1)cccc2S(=O)(=O)Cl.Cl
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.004g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
282.179g/mol
Monoisotopic Mass:
281.004g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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