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150374-99-5 | Propanoic acid, 2,2-dimethyl-, 4-(chlorosulfonyl)phenyl ester
CAS No: 150374-99-5 Catalog No: AG001MJX MDL No:MFCD08274725
Product Description
Catalog Number:
AG001MJX
Chemical Name:
Propanoic acid, 2,2-dimethyl-, 4-(chlorosulfonyl)phenyl ester
CAS Number:
150374-99-5
Molecular Formula:
C11H13ClO4S
Molecular Weight:
276.7365
MDL Number:
MFCD08274725
IUPAC Name:
(4-chlorosulfonylphenyl) 2,2-dimethylpropanoate
InChI:
InChI=1S/C11H13ClO4S/c1-11(2,3)10(13)16-8-4-6-9(7-5-8)17(12,14)15/h4-7H,1-3H3
InChI Key:
BSRSTUAZWZWGRT-UHFFFAOYSA-N
SMILES:
O=C(C(C)(C)C)Oc1ccc(cc1)S(=O)(=O)Cl
Properties
Complexity:
369
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:
4
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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