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1384430-47-0 | 3-(quinolin-2-yl)butan-2-yl methanesulfonate hydrochloride
CAS No: 1384430-47-0 Catalog No: AG019U0W MDL No:MFCD22056514
Product Description
Catalog Number:
AG019U0W
Chemical Name:
3-(quinolin-2-yl)butan-2-yl methanesulfonate hydrochloride
CAS Number:
1384430-47-0
Molecular Formula:
C14H18ClNO3S
Molecular Weight:
315.8156
MDL Number:
MFCD22056514
IUPAC Name:
3-quinolin-2-ylbutan-2-yl methanesulfonate;hydrochloride
InChI:
InChI=1S/C14H17NO3S.ClH/c1-10(11(2)18-19(3,16)17)13-9-8-12-6-4-5-7-14(12)15-13;/h4-11H,1-3H3;1H
InChI Key:
QOPWQQDUUQTKDC-UHFFFAOYSA-N
SMILES:
CC(C(c1ccc2c(n1)cccc2)C)OS(=O)(=O)C.Cl
Properties
Complexity:
390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.07g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
315.812g/mol
Monoisotopic Mass:
315.07g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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