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Home > Fluorides > 1326832-84-1
1326832-84-1 | 1H-Imidazole-5-thiol, 4-(4-fluorophenyl)-2-(3-methoxyphenyl)-
CAS No: 1326832-84-1 Catalog No: AG0010Z9 MDL No:MFCD22549298
Product Description
Catalog Number:
AG0010Z9
Chemical Name:
1H-Imidazole-5-thiol, 4-(4-fluorophenyl)-2-(3-methoxyphenyl)-
CAS Number:
1326832-84-1
Molecular Formula:
C16H13FN2OS
Molecular Weight:
300.3506
MDL Number:
MFCD22549298
IUPAC Name:
5-(4-fluorophenyl)-2-(3-methoxyphenyl)-1H-imidazole-4-thiol
InChI:
InChI=1S/C16H13FN2OS/c1-20-13-4-2-3-11(9-13)15-18-14(16(21)19-15)10-5-7-12(17)8-6-10/h2-9,21H,1H3,(H,18,19)
InChI Key:
SWTTYFRYINLNSO-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)c1[nH]c(c(n1)c1ccc(cc1)F)S
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.073g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
300.351g/mol
Monoisotopic Mass:
300.073g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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