200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 182746-75-4
182746-75-4 | Phenol, 2-(1-methylethyl)-6-[2-(5-nitro-2,1-benzisothiazol-3-yl)diazenyl]-
CAS No: 182746-75-4 Catalog No: AG00243S MDL No:
Product Description
Catalog Number:
AG00243S
Chemical Name:
Phenol, 2-(1-methylethyl)-6-[2-(5-nitro-2,1-benzisothiazol-3-yl)diazenyl]-
CAS Number:
182746-75-4
Molecular Formula:
C16H14N4O3S
Molecular Weight:
342.3724
IUPAC Name:
2-[(5-nitro-2,1-benzothiazol-3-yl)diazenyl]-6-propan-2-ylphenol
InChI:
InChI=1S/C16H14N4O3S/c1-9(2)11-4-3-5-14(15(11)21)17-18-16-12-8-10(20(22)23)6-7-13(12)19-24-16/h3-9,21H,1-2H3
InChI Key:
JFFXDMMVXRIRMZ-UHFFFAOYSA-N
SMILES:
CC(c1cccc(c1O)N=Nc1snc2c1cc(cc2)[N+](=O)[O-])C
Properties
Complexity:
484
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.079g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
342.373g/mol
Monoisotopic Mass:
342.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
132A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.