200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 749216-12-4
749216-12-4 | 4-[(2-methyl-5-nitrobenzenesulfonyl)oxy]benzoic acid
CAS No: 749216-12-4 Catalog No: AG019HTP MDL No:MFCD03948167
Product Description
Catalog Number:
AG019HTP
Chemical Name:
4-[(2-methyl-5-nitrobenzenesulfonyl)oxy]benzoic acid
CAS Number:
749216-12-4
Molecular Formula:
C14H11NO7S
Molecular Weight:
337.3046
MDL Number:
MFCD03948167
IUPAC Name:
4-(2-methyl-5-nitrophenyl)sulfonyloxybenzoic acid
InChI:
InChI=1S/C14H11NO7S/c1-9-2-5-11(15(18)19)8-13(9)23(20,21)22-12-6-3-10(4-7-12)14(16)17/h2-8H,1H3,(H,16,17)
InChI Key:
AXJBKYKTPXDLAH-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1S(=O)(=O)Oc1ccc(cc1)C(=O)O)[N+](=O)[O-]
Properties
Complexity:
543
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.026g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
337.302g/mol
Monoisotopic Mass:
337.026g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
135A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.