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100482-86-8 | Butanal, 4,4,4-trifluoro-3-hydroxy-2-(1-methylethyl)-3-(trifluoromethyl)-
CAS No: 100482-86-8 Catalog No: AG00023R MDL No:
Product Description
Catalog Number:
AG00023R
Chemical Name:
Butanal, 4,4,4-trifluoro-3-hydroxy-2-(1-methylethyl)-3-(trifluoromethyl)-
CAS Number:
100482-86-8
Molecular Formula:
C8H10F6O2
Molecular Weight:
252.1542
IUPAC Name:
4,4,4-trifluoro-3-hydroxy-2-propan-2-yl-3-(trifluoromethyl)butanal
InChI:
InChI=1S/C8H10F6O2/c1-4(2)5(3-15)6(16,7(9,10)11)8(12,13)14/h3-5,16H,1-2H3
InChI Key:
OJZOHRDXAXKWNF-UHFFFAOYSA-N
SMILES:
O=CC(C(C(F)(F)F)(C(F)(F)F)O)C(C)C
NSC Number:
663995
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.058g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.156g/mol
Monoisotopic Mass:
252.058g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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