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88339-57-5 | Benzaldehyde, 3-(difluoromethoxy)-2,4,6-trimethyl-
CAS No: 88339-57-5 Catalog No: AG0046WJ MDL No:
Product Description
Catalog Number:
AG0046WJ
Chemical Name:
Benzaldehyde, 3-(difluoromethoxy)-2,4,6-trimethyl-
CAS Number:
88339-57-5
Molecular Formula:
C11H12F2O2
Molecular Weight:
214.2086
IUPAC Name:
3-(difluoromethoxy)-2,4,6-trimethylbenzaldehyde
InChI:
InChI=1S/C11H12F2O2/c1-6-4-7(2)10(15-11(12)13)8(3)9(6)5-14/h4-5,11H,1-3H3
InChI Key:
DECCKJQCGJUIGJ-UHFFFAOYSA-N
SMILES:
O=Cc1c(C)cc(c(c1C)OC(F)F)C
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.081g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.212g/mol
Monoisotopic Mass:
214.081g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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