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87815-51-8 | Propanoyl chloride, 2-[(phenylsulfonyl)oxy]-, (S)-
CAS No: 87815-51-8 Catalog No: AG004HEP MDL No:
Product Description
Catalog Number:
AG004HEP
Chemical Name:
Propanoyl chloride, 2-[(phenylsulfonyl)oxy]-, (S)-
CAS Number:
87815-51-8
Molecular Formula:
C9H9ClO4S
Molecular Weight:
248.6834
IUPAC Name:
[(2S)-1-chloro-1-oxopropan-2-yl] benzenesulfonate
InChI:
InChI=1S/C9H9ClO4S/c1-7(9(10)11)14-15(12,13)8-5-3-2-4-6-8/h2-7H,1H3/t7-/m0/s1
InChI Key:
OXTMQWDZXODQBL-ZETCQYMHSA-N
SMILES:
C[C@@H](C(=O)Cl)OS(=O)(=O)c1ccccc1
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
247.991g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.677g/mol
Monoisotopic Mass:
247.991g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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