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76588-84-6 | Benzaldehyde, 4-methoxy-3-(2,2,2-trifluoroethoxy)-
CAS No: 76588-84-6 Catalog No: AG005WT1 MDL No:
Product Description
Catalog Number:
AG005WT1
Chemical Name:
Benzaldehyde, 4-methoxy-3-(2,2,2-trifluoroethoxy)-
CAS Number:
76588-84-6
Molecular Formula:
C10H9F3O3
Molecular Weight:
234.1719
IUPAC Name:
4-methoxy-3-(2,2,2-trifluoroethoxy)benzaldehyde
InChI:
InChI=1S/C10H9F3O3/c1-15-8-3-2-7(5-14)4-9(8)16-6-10(11,12)13/h2-5H,6H2,1H3
InChI Key:
LMCPOAPJLUJYQL-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1OCC(F)(F)F)C=O
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.05g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.174g/mol
Monoisotopic Mass:
234.05g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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