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949109-33-5 | 6-METHYL-ISOQUINOLINE-5-SULFONYL CHLORIDE
CAS No: 949109-33-5 Catalog No: AG01BO89 MDL No:MFCD18791273
Product Description
Catalog Number:
AG01BO89
Chemical Name:
6-METHYL-ISOQUINOLINE-5-SULFONYL CHLORIDE
CAS Number:
949109-33-5
Molecular Formula:
C10H8ClNO2S
Molecular Weight:
241.6940
MDL Number:
MFCD18791273
IUPAC Name:
6-methylisoquinoline-5-sulfonyl chloride
InChI:
InChI=1S/C10H8ClNO2S/c1-7-2-3-8-6-12-5-4-9(8)10(7)15(11,13)14/h2-6H,1H3
InChI Key:
RVCSCBOGKLGIDM-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1S(=O)(=O)Cl)ccnc2
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.996g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.689g/mol
Monoisotopic Mass:
240.996g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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