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Home > Aldehydes > 118762-55-3
118762-55-3 | Benzaldehyde, 2,6-bis(trifluoromethyl)-
CAS No: 118762-55-3 Catalog No: AG0080X9 MDL No:
Product Description
Catalog Number:
AG0080X9
Chemical Name:
Benzaldehyde, 2,6-bis(trifluoromethyl)-
CAS Number:
118762-55-3
Molecular Formula:
C9H4F6O
Molecular Weight:
242.1179
IUPAC Name:
2,6-bis(trifluoromethyl)benzaldehyde
InChI:
InChI=1S/C9H4F6O/c10-8(11,12)6-2-1-3-7(5(6)4-16)9(13,14)15/h1-4H
InChI Key:
RHHRPFMCPJVSQZ-UHFFFAOYSA-N
SMILES:
O=Cc1c(cccc1C(F)(F)F)C(F)(F)F
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.017g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.12g/mol
Monoisotopic Mass:
242.017g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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