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Home > Aldehydes > 1311316-18-3
1311316-18-3 | 3-methoxy-4-[(trifluoromethyl)sulfanyl]benzaldehyde
CAS No: 1311316-18-3 Catalog No: AG01AHCP MDL No:MFCD18483291
Product Description
Catalog Number:
AG01AHCP
Chemical Name:
3-methoxy-4-[(trifluoromethyl)sulfanyl]benzaldehyde
CAS Number:
1311316-18-3
Molecular Formula:
C9H7F3O2S
Molecular Weight:
236.2109
MDL Number:
MFCD18483291
IUPAC Name:
3-methoxy-4-(trifluoromethylsulfanyl)benzaldehyde
InChI:
InChI=1S/C9H7F3O2S/c1-14-7-4-6(5-13)2-3-8(7)15-9(10,11)12/h2-5H,1H3
InChI Key:
SIGSIXHCDDTBPZ-UHFFFAOYSA-N
SMILES:
COc1cc(C=O)ccc1SC(F)(F)F
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.012g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.208g/mol
Monoisotopic Mass:
236.012g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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