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61563-39-1 | 2-acetyl-1,2,3,4-tetrahydroisoquinoline-7-sulfonyl chloride
CAS No: 61563-39-1 Catalog No: AG00EL7O MDL No:MFCD11046767
Product Description
Catalog Number:
AG00EL7O
Chemical Name:
2-acetyl-1,2,3,4-tetrahydroisoquinoline-7-sulfonyl chloride
CAS Number:
61563-39-1
Molecular Formula:
C11H12ClNO3S
Molecular Weight:
273.7359
MDL Number:
MFCD11046767
IUPAC Name:
2-acetyl-3,4-dihydro-1H-isoquinoline-7-sulfonyl chloride
InChI:
InChI=1S/C11H12ClNO3S/c1-8(14)13-5-4-9-2-3-11(17(12,15)16)6-10(9)7-13/h2-3,6H,4-5,7H2,1H3
InChI Key:
MULMLDROTQLKML-UHFFFAOYSA-N
SMILES:
CC(=O)N1CCc2c(C1)cc(cc2)S(=O)(=O)Cl
Properties
Complexity:
403
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.023g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.731g/mol
Monoisotopic Mass:
273.023g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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