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87054-23-7 | 2,3-Butanediol, 2,3-bis(4-fluorophenyl)-
CAS No: 87054-23-7 Catalog No: AG004GIT MDL No:
Product Description
Catalog Number:
AG004GIT
Chemical Name:
2,3-Butanediol, 2,3-bis(4-fluorophenyl)-
CAS Number:
87054-23-7
Molecular Formula:
C16H16F2O2
Molecular Weight:
278.2938
IUPAC Name:
2,3-bis(4-fluorophenyl)butane-2,3-diol
InChI:
InChI=1S/C16H16F2O2/c1-15(19,11-3-7-13(17)8-4-11)16(2,20)12-5-9-14(18)10-6-12/h3-10,19-20H,1-2H3
InChI Key:
RDWONMQQNNAGTE-UHFFFAOYSA-N
SMILES:
CC(C(c1ccc(cc1)F)(O)C)(c1ccc(cc1)F)O
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.112g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
278.299g/mol
Monoisotopic Mass:
278.112g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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