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1167056-77-0 | 5-Thiazolecarboxylic acid, 2-fluoro-
CAS No: 1167056-77-0 Catalog No: AG000D4S MDL No:
Product Description
Catalog Number:
AG000D4S
Chemical Name:
5-Thiazolecarboxylic acid, 2-fluoro-
CAS Number:
1167056-77-0
Molecular Formula:
C4H2FNO2S
Molecular Weight:
147.1276
IUPAC Name:
2-fluoro-1,3-thiazole-5-carboxylic acid
InChI:
InChI=1S/C4H2FNO2S/c5-4-6-1-2(9-4)3(7)8/h1H,(H,7,8)
InChI Key:
GFFAXZZAXYPCMP-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnc(s1)F
Properties
Complexity:
132
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.979g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
147.123g/mol
Monoisotopic Mass:
146.979g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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