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815608-96-9 | 2(3H)-Benzoxazolone, 6-amino-5-fluoro-3-(2-propynyl)-
CAS No: 815608-96-9 Catalog No: AG0051MH MDL No:
Product Description
Catalog Number:
AG0051MH
Chemical Name:
2(3H)-Benzoxazolone, 6-amino-5-fluoro-3-(2-propynyl)-
CAS Number:
815608-96-9
Molecular Formula:
C10H7FN2O2
Molecular Weight:
206.1732
IUPAC Name:
6-amino-5-fluoro-3-prop-2-ynyl-1,3-benzoxazol-2-one
InChI:
InChI=1S/C10H7FN2O2/c1-2-3-13-8-4-6(11)7(12)5-9(8)15-10(13)14/h1,4-5H,3,12H2
InChI Key:
BFUTXLWFHRVHKP-UHFFFAOYSA-N
SMILES:
C#CCn1c(=O)oc2c1cc(F)c(c2)N
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.049g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
206.176g/mol
Monoisotopic Mass:
206.049g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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