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Home > Fluorides > 304854-26-0
304854-26-0 | 2H-3,1-Benzoxazin-2-one, 6-(3-fluorophenyl)-1,4-dihydro-4,4-dimethyl-
CAS No: 304854-26-0 Catalog No: AG00309W MDL No:
Product Description
Catalog Number:
AG00309W
Chemical Name:
2H-3,1-Benzoxazin-2-one, 6-(3-fluorophenyl)-1,4-dihydro-4,4-dimethyl-
CAS Number:
304854-26-0
Molecular Formula:
C16H14FNO2
Molecular Weight:
271.2863
IUPAC Name:
6-(3-fluorophenyl)-4,4-dimethyl-1H-3,1-benzoxazin-2-one
InChI:
InChI=1S/C16H14FNO2/c1-16(2)13-9-11(10-4-3-5-12(17)8-10)6-7-14(13)18-15(19)20-16/h3-9H,1-2H3,(H,18,19)
InChI Key:
RRSKDZKYPQSTFG-UHFFFAOYSA-N
SMILES:
O=C1Nc2ccc(cc2C(O1)(C)C)c1cccc(c1)F
Properties
Complexity:
385
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.101g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
271.291g/mol
Monoisotopic Mass:
271.101g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
Literature
| Title | Journal |
|---|---|
| 6-Aryl-1,4-dihydro-benzo[d][1,3]oxazin- 2-ones: a novel class of potent, selective, and orally active nonsteroidal progesterone receptor antagonists. | Journal of medicinal chemistry 20020926 |
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