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100427-76-7 | Benzenemethanol, α-[(2,2,3,3,4,4-hexafluoro-1-hydroxycyclobutyl)methyl]-
CAS No: 100427-76-7 Catalog No: AG0001YR MDL No:
Product Description
Catalog Number:
AG0001YR
Chemical Name:
Benzenemethanol, α-[(2,2,3,3,4,4-hexafluoro-1-hydroxycyclobutyl)methyl]-
CAS Number:
100427-76-7
Molecular Formula:
C12H10F6O2
Molecular Weight:
300.1970
IUPAC Name:
2,2,3,3,4,4-hexafluoro-1-(2-hydroxy-2-phenylethyl)cyclobutan-1-ol
InChI:
InChI=1S/C12H10F6O2/c13-10(14)9(20,11(15,16)12(10,17)18)6-8(19)7-4-2-1-3-5-7/h1-5,8,19-20H,6H2
InChI Key:
XBINKEYSONWDHP-UHFFFAOYSA-N
SMILES:
OC(c1ccccc1)CC1(O)C(F)(F)C(C1(F)F)(F)F
NSC Number:
162327
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.058g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
300.2g/mol
Monoisotopic Mass:
300.058g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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