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52771-21-8 | 3-(Trifluoromethoxy)benzaldehyde
CAS No: 52771-21-8 Catalog No: AG003BAC MDL No:MFCD00042406
Product Description
Catalog Number:
AG003BAC
Chemical Name:
3-(Trifluoromethoxy)benzaldehyde
CAS Number:
52771-21-8
Molecular Formula:
C8H5F3O2
Molecular Weight:
190.1193
MDL Number:
MFCD00042406
IUPAC Name:
3-(trifluoromethoxy)benzaldehyde
InChI:
InChI=1S/C8H5F3O2/c9-8(10,11)13-7-3-1-2-6(4-7)5-12/h1-5H
InChI Key:
FQEVHRCPXFKJHF-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1)OC(F)(F)F
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.024g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.121g/mol
Monoisotopic Mass:
190.024g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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