200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 126521-89-9
126521-89-9 | Methanone, 2-benzothiazolyl(4-nitrophenyl)-
CAS No: 126521-89-9 Catalog No: AG000SVD MDL No:
Product Description
Catalog Number:
AG000SVD
Chemical Name:
Methanone, 2-benzothiazolyl(4-nitrophenyl)-
CAS Number:
126521-89-9
Molecular Formula:
C14H8N2O3S
Molecular Weight:
284.2899
IUPAC Name:
1,3-benzothiazol-2-yl-(4-nitrophenyl)methanone
InChI:
InChI=1S/C14H8N2O3S/c17-13(9-5-7-10(8-6-9)16(18)19)14-15-11-3-1-2-4-12(11)20-14/h1-8H
InChI Key:
DEBFIJBUHNFBNU-UHFFFAOYSA-N
SMILES:
O=C(c1nc2c(s1)cccc2)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.026g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.289g/mol
Monoisotopic Mass:
284.026g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.