200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 84996-11-2
84996-11-2 | 4-(Ethylsulfonyl);-2-nitrophenol
CAS No: 84996-11-2 Catalog No: AG0051YX MDL No:MFCD00270807
Product Description
Catalog Number:
AG0051YX
Chemical Name:
4-(Ethylsulfonyl);-2-nitrophenol
CAS Number:
84996-11-2
Molecular Formula:
C8H9NO5S
Molecular Weight:
231.2258
MDL Number:
MFCD00270807
IUPAC Name:
4-ethylsulfonyl-2-nitrophenol
InChI:
InChI=1S/C8H9NO5S/c1-2-15(13,14)6-3-4-8(10)7(5-6)9(11)12/h3-5,10H,2H2,1H3
InChI Key:
SGMLLKMQYTWRJX-UHFFFAOYSA-N
SMILES:
CCS(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])O
EC Number:
284-947-7
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.02g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
231.222g/mol
Monoisotopic Mass:
231.02g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.