200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 330566-98-8
330566-98-8 | N-[2-(4-Ethyl-phenyl)-benzooxazol-5-yl]-3,5-dinitro-benzamide
CAS No: 330566-98-8 Catalog No: AG01F6JZ MDL No:
Product Description
Catalog Number:
AG01F6JZ
Chemical Name:
N-[2-(4-Ethyl-phenyl)-benzooxazol-5-yl]-3,5-dinitro-benzamide
CAS Number:
330566-98-8
Molecular Formula:
C22H16N4O6
Molecular Weight:
432.3856
IUPAC Name:
N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-3,5-dinitrobenzamide
InChI:
InChI=1S/C22H16N4O6/c1-2-13-3-5-14(6-4-13)22-24-19-11-16(7-8-20(19)32-22)23-21(27)15-9-17(25(28)29)12-18(10-15)26(30)31/h3-12H,2H2,1H3,(H,23,27)
InChI Key:
VHBBLCKAKLHXDF-UHFFFAOYSA-N
SMILES:
CCc1ccc(cc1)c1oc2c(n1)cc(cc2)NC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
680
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
432.107g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
432.392g/mol
Monoisotopic Mass:
432.107g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
147A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.