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Home > Fluorides > 1221502-66-4
1221502-66-4 | 2H-1,4-Benzoxazin-3(4H)-one, 5-fluoro-
CAS No: 1221502-66-4 Catalog No: AG0016UJ MDL No:MFCD20441929
Product Description
Catalog Number:
AG0016UJ
Chemical Name:
2H-1,4-Benzoxazin-3(4H)-one, 5-fluoro-
CAS Number:
1221502-66-4
Molecular Formula:
C8H6FNO2
Molecular Weight:
167.1371
MDL Number:
MFCD20441929
IUPAC Name:
5-fluoro-4H-1,4-benzoxazin-3-one
InChI:
InChI=1S/C8H6FNO2/c9-5-2-1-3-6-8(5)10-7(11)4-12-6/h1-3H,4H2,(H,10,11)
InChI Key:
PPGFMQYLGBSWLA-UHFFFAOYSA-N
SMILES:
O=C1COc2c(N1)c(F)ccc2
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.038g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
167.139g/mol
Monoisotopic Mass:
167.038g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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