200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 830328-26-2
830328-26-2 | Benzoic acid, 4-[(4-methoxyphenyl)thio]-, methyl ester
CAS No: 830328-26-2 Catalog No: AG004XVH MDL No:
Product Description
Catalog Number:
AG004XVH
Chemical Name:
Benzoic acid, 4-[(4-methoxyphenyl)thio]-, methyl ester
CAS Number:
830328-26-2
Molecular Formula:
C15H14O3S
Molecular Weight:
274.3349
IUPAC Name:
methyl 4-(4-methoxyphenyl)sulfanylbenzoate
InChI:
InChI=1S/C15H14O3S/c1-17-12-5-9-14(10-6-12)19-13-7-3-11(4-8-13)15(16)18-2/h3-10H,1-2H3
InChI Key:
HQPQGPRWWOXRKV-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)Sc1ccc(cc1)C(=O)OC
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.066g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.334g/mol
Monoisotopic Mass:
274.066g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.