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Home > Aldehydes > 1289084-81-6
1289084-81-6 | 2-fluoro-4-(methylsulfanyl)benzaldehyde
CAS No: 1289084-81-6 Catalog No: AG01AC1L MDL No:MFCD26935988
Product Description
Catalog Number:
AG01AC1L
Chemical Name:
2-fluoro-4-(methylsulfanyl)benzaldehyde
CAS Number:
1289084-81-6
Molecular Formula:
C8H7FOS
Molecular Weight:
170.2040
MDL Number:
MFCD26935988
IUPAC Name:
2-fluoro-4-methylsulfanylbenzaldehyde
InChI:
InChI=1S/C8H7FOS/c1-11-7-3-2-6(5-10)8(9)4-7/h2-5H,1H3
InChI Key:
GRLQTWGORARDOB-UHFFFAOYSA-N
SMILES:
CSc1ccc(c(c1)F)C=O
Properties
Complexity:
140
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.02g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.201g/mol
Monoisotopic Mass:
170.02g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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