200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 331446-69-6
331446-69-6 | N-(4-Benzooxazol-2-ylphenyl)-4-methyl-3-nitro benzamide
CAS No: 331446-69-6 Catalog No: AG01F2A8 MDL No:MFCD00808779
Product Description
Catalog Number:
AG01F2A8
Chemical Name:
N-(4-Benzooxazol-2-ylphenyl)-4-methyl-3-nitro benzamide
CAS Number:
331446-69-6
Molecular Formula:
C21H15N3O4
Molecular Weight:
373.3615
MDL Number:
MFCD00808779
IUPAC Name:
N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-methyl-3-nitrobenzamide
InChI:
InChI=1S/C21H15N3O4/c1-13-6-7-15(12-18(13)24(26)27)20(25)22-16-10-8-14(9-11-16)21-23-17-4-2-3-5-19(17)28-21/h2-12H,1H3,(H,22,25)
InChI Key:
LWILAZRFZXYHHL-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(c(c1)[N+](=O)[O-])C)Nc1ccc(cc1)c1nc2c(o1)cccc2
Properties
Complexity:
573
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
373.106g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
373.368g/mol
Monoisotopic Mass:
373.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.