200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 840-58-4
840-58-4 | Benzoxazole, 2-(4-nitrophenyl)-
CAS No: 840-58-4 Catalog No: AG004T7A MDL No:
Product Description
Catalog Number:
AG004T7A
Chemical Name:
Benzoxazole, 2-(4-nitrophenyl)-
CAS Number:
840-58-4
Molecular Formula:
C13H8N2O3
Molecular Weight:
240.2142
IUPAC Name:
2-(4-nitrophenyl)-1,3-benzoxazole
InChI:
InChI=1S/C13H8N2O3/c16-15(17)10-7-5-9(6-8-10)13-14-11-3-1-2-4-12(11)18-13/h1-8H
InChI Key:
KLOXEYMSPNBMHD-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)c1nc2c(o1)cccc2
NSC Number:
702048
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.053g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.218g/mol
Monoisotopic Mass:
240.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.