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1874579-47-1 | 4-fluoro-3-(3-methyl-1,2-thiazol-5-yl)benzaldehyde
CAS No: 1874579-47-1 Catalog No: AG01C71C MDL No:MFCD31433646
Product Description
Catalog Number:
AG01C71C
Chemical Name:
4-fluoro-3-(3-methyl-1,2-thiazol-5-yl)benzaldehyde
CAS Number:
1874579-47-1
Molecular Formula:
C11H8FNOS
Molecular Weight:
221.2507
MDL Number:
MFCD31433646
IUPAC Name:
4-fluoro-3-(3-methyl-1,2-thiazol-5-yl)benzaldehyde
InChI:
InChI=1S/C11H8FNOS/c1-7-4-11(15-13-7)9-5-8(6-14)2-3-10(9)12/h2-6H,1H3
InChI Key:
ZHALPDORXCDVIU-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c(c1)c1snc(c1)C)F
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.031g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.249g/mol
Monoisotopic Mass:
221.031g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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