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104456-90-8 | 5-FLUORO-2-MERCAPTOBENZALDEHYDE
CAS No: 104456-90-8 Catalog No: AG01BKK1 MDL No:MFCD12756693
Product Description
Catalog Number:
AG01BKK1
Chemical Name:
5-FLUORO-2-MERCAPTOBENZALDEHYDE
CAS Number:
104456-90-8
Molecular Formula:
C7H5FOS
Molecular Weight:
156.1774
MDL Number:
MFCD12756693
IUPAC Name:
5-fluoro-2-sulfanylbenzaldehyde
InChI:
InChI=1S/C7H5FOS/c8-6-1-2-7(10)5(3-6)4-9/h1-4,10H
InChI Key:
STVVYTSMOSBDPE-UHFFFAOYSA-N
SMILES:
O=Cc1cc(F)ccc1S
Properties
Complexity:
129
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.005g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
156.174g/mol
Monoisotopic Mass:
156.005g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
18.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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