200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 182936-89-6
182936-89-6 | Phenol, 4-(6-nitro-2-benzoxazolyl)-
CAS No: 182936-89-6 Catalog No: AG00249X MDL No:
Product Description
Catalog Number:
AG00249X
Chemical Name:
Phenol, 4-(6-nitro-2-benzoxazolyl)-
CAS Number:
182936-89-6
Molecular Formula:
C13H8N2O4
Molecular Weight:
256.2136
IUPAC Name:
4-(6-nitro-1,3-benzoxazol-2-yl)phenol
InChI:
InChI=1S/C13H8N2O4/c16-10-4-1-8(2-5-10)13-14-11-6-3-9(15(17)18)7-12(11)19-13/h1-7,16H
InChI Key:
MATVXEIXBLFCJZ-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)c1nc2c(o1)cc(cc2)[N+](=O)[O-]
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.048g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
256.217g/mol
Monoisotopic Mass:
256.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
92.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.