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1000339-55-8 | Benzaldehyde, 3-methyl-5-(trifluoromethoxy)-
CAS No: 1000339-55-8 Catalog No: AG0000C7 MDL No:MFCD08741401
Product Description
Catalog Number:
AG0000C7
Chemical Name:
Benzaldehyde, 3-methyl-5-(trifluoromethoxy)-
CAS Number:
1000339-55-8
Molecular Formula:
C9H7F3O2
Molecular Weight:
204.1459
MDL Number:
MFCD08741401
IUPAC Name:
3-methyl-5-(trifluoromethoxy)benzaldehyde
InChI:
InChI=1S/C9H7F3O2/c1-6-2-7(5-13)4-8(3-6)14-9(10,11)12/h2-5H,1H3
InChI Key:
LAGVGNCAIJDRHK-UHFFFAOYSA-N
SMILES:
O=Cc1cc(cc(c1)C)OC(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:
2.9
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