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921762-05-2 | 3-Cyclobutene-1,2-dione, 3-amino-4-(3-ethoxy-5-fluorophenyl)-
CAS No: 921762-05-2 Catalog No: AG006GPA MDL No:
Product Description
Catalog Number:
AG006GPA
Chemical Name:
3-Cyclobutene-1,2-dione, 3-amino-4-(3-ethoxy-5-fluorophenyl)-
CAS Number:
921762-05-2
Molecular Formula:
C12H10FNO3
Molecular Weight:
235.2111
IUPAC Name:
3-amino-4-(3-ethoxy-5-fluorophenyl)cyclobut-3-ene-1,2-dione
InChI:
InChI=1S/C12H10FNO3/c1-2-17-8-4-6(3-7(13)5-8)9-10(14)12(16)11(9)15/h3-5H,2,14H2,1H3
InChI Key:
BYQCTSZSZDOWHL-UHFFFAOYSA-N
SMILES:
CCOc1cc(F)cc(c1)C1=C(N)C(=O)C1=O
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.064g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.214g/mol
Monoisotopic Mass:
235.064g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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