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Home > Aldehydes > 1250655-68-5
1250655-68-5 | 2-[(3,4-DIFLUOROPHENYL)SULFANYL]ACETALDEHYDE
CAS No: 1250655-68-5 Catalog No: AG01BIUD MDL No:MFCD16096678
Product Description
Catalog Number:
AG01BIUD
Chemical Name:
2-[(3,4-DIFLUOROPHENYL)SULFANYL]ACETALDEHYDE
CAS Number:
1250655-68-5
Molecular Formula:
C8H6F2OS
Molecular Weight:
188.1944
MDL Number:
MFCD16096678
IUPAC Name:
2-(3,4-difluorophenyl)sulfanylacetaldehyde
InChI:
InChI=1S/C8H6F2OS/c9-7-2-1-6(5-8(7)10)12-4-3-11/h1-3,5H,4H2
InChI Key:
YECMWLRAVRHTHH-UHFFFAOYSA-N
SMILES:
O=CCSc1ccc(c(c1)F)F
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.011g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.192g/mol
Monoisotopic Mass:
188.011g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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