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Home > Aldehydes > 190786-10-8
190786-10-8 | Benzaldehyde, 3-methoxy-4-[(trifluoromethyl)sulfonyl]-
CAS No: 190786-10-8 Catalog No: AG002ET3 MDL No:
Product Description
Catalog Number:
AG002ET3
Chemical Name:
Benzaldehyde, 3-methoxy-4-[(trifluoromethyl)sulfonyl]-
CAS Number:
190786-10-8
Molecular Formula:
C9H7F3O4S
Molecular Weight:
268.2097
IUPAC Name:
3-methoxy-4-(trifluoromethylsulfonyl)benzaldehyde
InChI:
InChI=1S/C9H7F3O4S/c1-16-7-4-6(5-13)2-3-8(7)17(14,15)9(10,11)12/h2-5H,1H3
InChI Key:
DJEORXFGOZPZGX-UHFFFAOYSA-N
SMILES:
COc1cc(C=O)ccc1S(=O)(=O)C(F)(F)F
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.002g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.206g/mol
Monoisotopic Mass:
268.002g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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