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147363-47-1 | Butanoic acid, 4-(chlorosulfonyl)-, phenylmethyl ester
CAS No: 147363-47-1 Catalog No: AG001EU2 MDL No:
Product Description
Catalog Number:
AG001EU2
Chemical Name:
Butanoic acid, 4-(chlorosulfonyl)-, phenylmethyl ester
CAS Number:
147363-47-1
Molecular Formula:
C11H13ClO4S
Molecular Weight:
276.7365
IUPAC Name:
benzyl 4-chlorosulfonylbutanoate
InChI:
InChI=1S/C11H13ClO4S/c12-17(14,15)8-4-7-11(13)16-9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2
InChI Key:
SSLJUNAOVTYHOC-UHFFFAOYSA-N
SMILES:
O=C(OCc1ccccc1)CCCS(=O)(=O)Cl
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.022g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.731g/mol
Monoisotopic Mass:
276.022g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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