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Home > Aldehydes > 1289209-36-4
1289209-36-4 | Benzaldehyde, 5-(hydroxymethyl)-2-(trifluoromethyl)-
CAS No: 1289209-36-4 Catalog No: AG000YJX MDL No:
Product Description
Catalog Number:
AG000YJX
Chemical Name:
Benzaldehyde, 5-(hydroxymethyl)-2-(trifluoromethyl)-
CAS Number:
1289209-36-4
Molecular Formula:
C9H7F3O2
Molecular Weight:
204.1459
IUPAC Name:
5-(hydroxymethyl)-2-(trifluoromethyl)benzaldehyde
InChI:
InChI=1S/C9H7F3O2/c10-9(11,12)8-2-1-6(4-13)3-7(8)5-14/h1-3,5,13H,4H2
InChI Key:
JTCYYJDIVXHZNZ-UHFFFAOYSA-N
SMILES:
O=Cc1cc(CO)ccc1C(F)(F)F
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.04g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
204.148g/mol
Monoisotopic Mass:
204.04g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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