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121898-09-7 | 2-Propanol, 1-chloro-1,1-difluoro-3-[(R)-(4-methylphenyl)sulfinyl]-, (2R)-
CAS No: 121898-09-7 Catalog No: AG0016D0 MDL No:
Product Description
Catalog Number:
AG0016D0
Chemical Name:
2-Propanol, 1-chloro-1,1-difluoro-3-[(R)-(4-methylphenyl)sulfinyl]-, (2R)-
CAS Number:
121898-09-7
Molecular Formula:
C10H11ClF2O2S
Molecular Weight:
268.7079
IUPAC Name:
(2R)-1-chloro-1,1-difluoro-3-[(R)-(4-methylphenyl)sulfinyl]propan-2-ol
InChI:
InChI=1S/C10H11ClF2O2S/c1-7-2-4-8(5-3-7)16(15)6-9(14)10(11,12)13/h2-5,9,14H,6H2,1H3/t9-,16-/m1/s1
InChI Key:
LIFIWZRPHFATPW-JDNHERCYSA-N
SMILES:
O[C@@H](C(Cl)(F)F)C[S@@](=O)c1ccc(cc1)C
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
268.014g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
268.703g/mol
Monoisotopic Mass:
268.014g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
56.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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