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1502601-21-9 | 2-[(3-FLUOROPHENYL)SULFANYL]ACETALDEHYDE
CAS No: 1502601-21-9 Catalog No: AG01BIUT MDL No:MFCD22908693
Product Description
Catalog Number:
AG01BIUT
Chemical Name:
2-[(3-FLUOROPHENYL)SULFANYL]ACETALDEHYDE
CAS Number:
1502601-21-9
Molecular Formula:
C8H7FOS
Molecular Weight:
170.2040
MDL Number:
MFCD22908693
IUPAC Name:
2-(3-fluorophenyl)sulfanylacetaldehyde
InChI:
InChI=1S/C8H7FOS/c9-7-2-1-3-8(6-7)11-5-4-10/h1-4,6H,5H2
InChI Key:
UPKCLYSDGIMTGG-UHFFFAOYSA-N
SMILES:
O=CCSc1cccc(c1)F
Properties
Complexity:
129
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:
3
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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