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Home > Fluorides > 331243-85-7
331243-85-7 | N-[2-(3-Fluoro-phenyl)-benzooxazol-5-yl]-3-methyl-4-nitro-benzamide
CAS No: 331243-85-7 Catalog No: AG01F5FQ MDL No:MFCD00613135
Product Description
Catalog Number:
AG01F5FQ
Chemical Name:
N-[2-(3-Fluoro-phenyl)-benzooxazol-5-yl]-3-methyl-4-nitro-benzamide
CAS Number:
331243-85-7
Molecular Formula:
C21H14FN3O4
Molecular Weight:
391.3520
MDL Number:
MFCD00613135
IUPAC Name:
N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]-3-methyl-4-nitrobenzamide
InChI:
InChI=1S/C21H14FN3O4/c1-12-9-13(5-7-18(12)25(27)28)20(26)23-16-6-8-19-17(11-16)24-21(29-19)14-3-2-4-15(22)10-14/h2-11H,1H3,(H,23,26)
InChI Key:
YDTPMPJPBDJJBL-UHFFFAOYSA-N
SMILES:
Fc1cccc(c1)c1oc2c(n1)cc(cc2)NC(=O)c1ccc(c(c1)C)[N+](=O)[O-]
Properties
Complexity:
615
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
391.097g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
391.358g/mol
Monoisotopic Mass:
391.097g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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