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Home > Nitro Compounds > 313667-54-8
313667-54-8 | 4-Methyl-N-[3-(5-methyl-benzooxazol-2-yl)-phenyl]-3-nitro-benzamide
CAS No: 313667-54-8 Catalog No: AG01F2AY MDL No:MFCD00702312
Product Description
Catalog Number:
AG01F2AY
Chemical Name:
4-Methyl-N-[3-(5-methyl-benzooxazol-2-yl)-phenyl]-3-nitro-benzamide
CAS Number:
313667-54-8
Molecular Formula:
C22H17N3O4
Molecular Weight:
387.3881
MDL Number:
MFCD00702312
IUPAC Name:
4-methyl-N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3-nitrobenzamide
InChI:
InChI=1S/C22H17N3O4/c1-13-6-9-20-18(10-13)24-22(29-20)16-4-3-5-17(11-16)23-21(26)15-8-7-14(2)19(12-15)25(27)28/h3-12H,1-2H3,(H,23,26)
InChI Key:
DUQZSRLBPPMIDK-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)nc(o2)c1cccc(c1)NC(=O)c1ccc(c(c1)[N+](=O)[O-])C
Properties
Complexity:
609
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
387.122g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
387.395g/mol
Monoisotopic Mass:
387.122g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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