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83261-13-6 | Propanoyl chloride, 2-[[(4-methylphenyl)sulfonyl]oxy]-, (S)-
CAS No: 83261-13-6 Catalog No: AG0057HK MDL No:
Product Description
Catalog Number:
AG0057HK
Chemical Name:
Propanoyl chloride, 2-[[(4-methylphenyl)sulfonyl]oxy]-, (S)-
CAS Number:
83261-13-6
Molecular Formula:
C10H11ClO4S
Molecular Weight:
262.7099
IUPAC Name:
[(2S)-1-chloro-1-oxopropan-2-yl] 4-methylbenzenesulfonate
InChI:
InChI=1S/C10H11ClO4S/c1-7-3-5-9(6-4-7)16(13,14)15-8(2)10(11)12/h3-6,8H,1-2H3/t8-/m0/s1
InChI Key:
XFKAMBULGKHYIY-QMMMGPOBSA-N
SMILES:
C[C@@H](C(=O)Cl)OS(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
262.007g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.704g/mol
Monoisotopic Mass:
262.007g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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