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1261621-70-8 | 3-methyl-4-(trifluoromethoxy)benzaldehyde
CAS No: 1261621-70-8 Catalog No: AG01C1OW MDL No:MFCD18399709
Product Description
Catalog Number:
AG01C1OW
Chemical Name:
3-methyl-4-(trifluoromethoxy)benzaldehyde
CAS Number:
1261621-70-8
Molecular Formula:
C9H7F3O2
Molecular Weight:
204.1459
MDL Number:
MFCD18399709
IUPAC Name:
3-methyl-4-(trifluoromethoxy)benzaldehyde
InChI:
InChI=1S/C9H7F3O2/c1-6-4-7(5-13)2-3-8(6)14-9(10,11)12/h2-5H,1H3
InChI Key:
PDQMHULNQIYRTB-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c(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:
3.4
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