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1261483-00-4 | 3-Methoxy-4-(trifluoroMethoxy)benzaldehyde
CAS No: 1261483-00-4 Catalog No: AG009YB4 MDL No:MFCD18398417
Product Description
Catalog Number:
AG009YB4
Chemical Name:
3-Methoxy-4-(trifluoroMethoxy)benzaldehyde
CAS Number:
1261483-00-4
Molecular Formula:
C9H7F3O3
Molecular Weight:
220.1453
MDL Number:
MFCD18398417
IUPAC Name:
3-methoxy-4-(trifluoromethoxy)benzaldehyde
InChI:
InChI=1S/C9H7F3O3/c1-14-8-4-6(5-13)2-3-7(8)15-9(10,11)12/h2-5H,1H3
InChI Key:
XAHZURBOVLDNLP-UHFFFAOYSA-N
SMILES:
COc1cc(C=O)ccc1OC(F)(F)F
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.035g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.147g/mol
Monoisotopic Mass:
220.035g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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