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Home > Aldehydes > 1596645-51-0
1596645-51-0 | 2-fluoro-4-(2-methylthiophen-3-yl)benzaldehyde
CAS No: 1596645-51-0 Catalog No: AG01CA1K MDL No:
Product Description
Catalog Number:
AG01CA1K
Chemical Name:
2-fluoro-4-(2-methylthiophen-3-yl)benzaldehyde
CAS Number:
1596645-51-0
Molecular Formula:
C12H9FOS
Molecular Weight:
220.2627
IUPAC Name:
2-fluoro-4-(2-methylthiophen-3-yl)benzaldehyde
InChI:
InChI=1S/C12H9FOS/c1-8-11(4-5-15-8)9-2-3-10(7-14)12(13)6-9/h2-7H,1H3
InChI Key:
UBAZFCCOOLFYFR-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1F)c1ccsc1C
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.036g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.261g/mol
Monoisotopic Mass:
220.036g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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