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2923-94-6 | 2(3H)-Benzoxazolone, 6-fluoro-
CAS No: 2923-94-6 Catalog No: AG002XT3 MDL No:MFCD11845132
Product Description
Catalog Number:
AG002XT3
Chemical Name:
2(3H)-Benzoxazolone, 6-fluoro-
CAS Number:
2923-94-6
Molecular Formula:
C7H4FNO2
Molecular Weight:
153.1106
MDL Number:
MFCD11845132
IUPAC Name:
6-fluoro-3H-1,3-benzoxazol-2-one
InChI:
InChI=1S/C7H4FNO2/c8-4-1-2-5-6(3-4)11-7(10)9-5/h1-3H,(H,9,10)
InChI Key:
XFHJMCQRLBZIDO-UHFFFAOYSA-N
SMILES:
Fc1ccc2c(c1)oc(=O)[nH]2
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.023g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
153.112g/mol
Monoisotopic Mass:
153.023g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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