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Home > Fluorides > 1207453-90-4
1207453-90-4 | 6-Fluoro-4-nitroisobenzofuran-1(3H)-one
CAS No: 1207453-90-4 Catalog No: AG00386B MDL No:MFCD22370184
Product Description
Catalog Number:
AG00386B
Chemical Name:
6-Fluoro-4-nitroisobenzofuran-1(3H)-one
CAS Number:
1207453-90-4
Molecular Formula:
C8H4FNO4
Molecular Weight:
197.1201
MDL Number:
MFCD22370184
IUPAC Name:
6-fluoro-4-nitro-3H-2-benzofuran-1-one
InChI:
InChI=1S/C8H4FNO4/c9-4-1-5-6(3-14-8(5)11)7(2-4)10(12)13/h1-2H,3H2
InChI Key:
JBLFHMWQMPVDDL-UHFFFAOYSA-N
SMILES:
Fc1cc([N+](=O)[O-])c2c(c1)C(=O)OC2
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.012g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.121g/mol
Monoisotopic Mass:
197.012g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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