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Home > Aldehydes > 146539-83-5
146539-83-5 | Benzaldehyde, 2-methoxy-5-(trifluoromethyl)-
CAS No: 146539-83-5 Catalog No: AG001E43 MDL No:MFCD03788528
Product Description
Catalog Number:
AG001E43
Chemical Name:
Benzaldehyde, 2-methoxy-5-(trifluoromethyl)-
CAS Number:
146539-83-5
Molecular Formula:
C9H7F3O2
Molecular Weight:
204.1459
MDL Number:
MFCD03788528
IUPAC Name:
2-methoxy-5-(trifluoromethyl)benzaldehyde
InChI:
InChI=1S/C9H7F3O2/c1-14-8-3-2-7(9(10,11)12)4-6(8)5-13/h2-5H,1H3
InChI Key:
WFRURKYDETYZGF-UHFFFAOYSA-N
SMILES:
O=Cc1cc(ccc1OC)C(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:
0
Isotope Atom Count:
0
Molecular Weight:
204.148g/mol
Monoisotopic Mass:
204.04g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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