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721-36-8 | Benzenemethanol, a,3-bis(trifluoromethyl)-
CAS No: 721-36-8 Catalog No: AG005JTH MDL No:MFCD00455619
Product Description
Catalog Number:
AG005JTH
Chemical Name:
Benzenemethanol, a,3-bis(trifluoromethyl)-
CAS Number:
721-36-8
Molecular Formula:
C9H6F6O
Molecular Weight:
244.1338
MDL Number:
MFCD00455619
IUPAC Name:
2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethanol
InChI:
InChI=1S/C9H6F6O/c10-8(11,12)6-3-1-2-5(4-6)7(16)9(13,14)15/h1-4,7,16H
InChI Key:
BSMNENKVFMPEGA-UHFFFAOYSA-N
SMILES:
OC(C(F)(F)F)c1cccc(c1)C(F)(F)F
NSC Number:
55521
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.032g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
244.136g/mol
Monoisotopic Mass:
244.032g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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