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Home > Fluorides > 331447-20-2
331447-20-2 | N-[2-(3-Fluoro-phenyl)-benzooxazol-5-yl]-3-nitro-benzamide
CAS No: 331447-20-2 Catalog No: AG01F755 MDL No:MFCD00808812
Product Description
Catalog Number:
AG01F755
Chemical Name:
N-[2-(3-Fluoro-phenyl)-benzooxazol-5-yl]-3-nitro-benzamide
CAS Number:
331447-20-2
Molecular Formula:
C20H12FN3O4
Molecular Weight:
377.3254
MDL Number:
MFCD00808812
IUPAC Name:
N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]-3-nitrobenzamide
InChI:
InChI=1S/C20H12FN3O4/c21-14-5-1-4-13(9-14)20-23-17-11-15(7-8-18(17)28-20)22-19(25)12-3-2-6-16(10-12)24(26)27/h1-11H,(H,22,25)
InChI Key:
JHFIEDFSKDOOHA-UHFFFAOYSA-N
SMILES:
Fc1cccc(c1)c1oc2c(n1)cc(cc2)NC(=O)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
586
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
377.081g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
377.331g/mol
Monoisotopic Mass:
377.081g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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