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832151-94-7 | 2,3-Butanediol, 1-chloro-2-(2,4-difluorophenyl)-, (2S,3R)-
CAS No: 832151-94-7 Catalog No: AG004UJH MDL No:
Product Description
Catalog Number:
AG004UJH
Chemical Name:
2,3-Butanediol, 1-chloro-2-(2,4-difluorophenyl)-, (2S,3R)-
CAS Number:
832151-94-7
Molecular Formula:
C10H11ClF2O2
Molecular Weight:
236.6429
IUPAC Name:
(2S,3R)-1-chloro-2-(2,4-difluorophenyl)butane-2,3-diol
InChI:
InChI=1S/C10H11ClF2O2/c1-6(14)10(15,5-11)8-3-2-7(12)4-9(8)13/h2-4,6,14-15H,5H2,1H3/t6-,10-/m1/s1
InChI Key:
UMLHOYWHPRHIIO-LHLIQPBNSA-N
SMILES:
ClC[C@](c1ccc(cc1F)F)([C@H](O)C)O
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
236.042g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
236.643g/mol
Monoisotopic Mass:
236.042g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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