200,000+ products from a single source!
sales@angenechem.com
835594-20-2 | Benzoic acid, 4-[5-[(phenylthio)methyl]-3-isoxazolyl]-
CAS No: 835594-20-2 Catalog No: AG004ZMZ MDL No:
Product Description
Catalog Number:
AG004ZMZ
Chemical Name:
Benzoic acid, 4-[5-[(phenylthio)methyl]-3-isoxazolyl]-
CAS Number:
835594-20-2
Molecular Formula:
C17H13NO3S
Molecular Weight:
311.3550
IUPAC Name:
4-[5-(phenylsulfanylmethyl)-1,2-oxazol-3-yl]benzoic acid
InChI:
InChI=1S/C17H13NO3S/c19-17(20)13-8-6-12(7-9-13)16-10-14(21-18-16)11-22-15-4-2-1-3-5-15/h1-10H,11H2,(H,19,20)
InChI Key:
YPAUVPUYBAPPAQ-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)c1noc(c1)CSc1ccccc1
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.062g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
311.355g/mol
Monoisotopic Mass:
311.062g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
88.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.