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Home > Nitro Compounds > 331447-61-1
331447-61-1 | 4-Methoxy-N-[2-methyl-3-(5-methyl-benzooxazol-2-yl)-phenyl]-3-nitro-benzamide
CAS No: 331447-61-1 Catalog No: AG01F47H MDL No:MFCD00808820
Product Description
Catalog Number:
AG01F47H
Chemical Name:
4-Methoxy-N-[2-methyl-3-(5-methyl-benzooxazol-2-yl)-phenyl]-3-nitro-benzamide
CAS Number:
331447-61-1
Molecular Formula:
C23H19N3O5
Molecular Weight:
417.4141
MDL Number:
MFCD00808820
IUPAC Name:
4-methoxy-N-[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3-nitrobenzamide
InChI:
InChI=1S/C23H19N3O5/c1-13-7-9-20-18(11-13)25-23(31-20)16-5-4-6-17(14(16)2)24-22(27)15-8-10-21(30-3)19(12-15)26(28)29/h4-12H,1-3H3,(H,24,27)
InChI Key:
LPALYTFUSXGHSN-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1[N+](=O)[O-])C(=O)Nc1cccc(c1C)c1nc2c(o1)ccc(c2)C
Properties
Complexity:
656
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
417.132g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
417.421g/mol
Monoisotopic Mass:
417.132g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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