200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 742-25-6
742-25-6 | Phenol,2,4-dinitro-, 1-(4-methylbenzenesulfonate)
CAS No: 742-25-6 Catalog No: AG005CRW MDL No:
Product Description
Catalog Number:
AG005CRW
Chemical Name:
Phenol,2,4-dinitro-, 1-(4-methylbenzenesulfonate)
CAS Number:
742-25-6
Molecular Formula:
C13H10N2O7S
Molecular Weight:
338.2927
IUPAC Name:
(2,4-dinitrophenyl) 4-methylbenzenesulfonate
InChI:
InChI=1S/C13H10N2O7S/c1-9-2-5-11(6-3-9)23(20,21)22-13-7-4-10(14(16)17)8-12(13)15(18)19/h2-8H,1H3
InChI Key:
NQXDAKVRYHXNPE-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)Oc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
NSC Number:
25830
Properties
Complexity:
540
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.021g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
338.29g/mol
Monoisotopic Mass:
338.021g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
143A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.