200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 89217-55-0
89217-55-0 | 9H-Xanthene-3-carbonyl chloride, 7-(ethylthio)-9-oxo-
CAS No: 89217-55-0 Catalog No: AG0044YW MDL No:
Product Description
Catalog Number:
AG0044YW
Chemical Name:
9H-Xanthene-3-carbonyl chloride, 7-(ethylthio)-9-oxo-
CAS Number:
89217-55-0
Molecular Formula:
C16H11ClO3S
Molecular Weight:
318.7747
IUPAC Name:
7-ethylsulfanyl-9-oxoxanthene-3-carbonyl chloride
InChI:
InChI=1S/C16H11ClO3S/c1-2-21-10-4-6-13-12(8-10)15(18)11-5-3-9(16(17)19)7-14(11)20-13/h3-8H,2H2,1H3
InChI Key:
KHFKEYTZTUTZRX-UHFFFAOYSA-N
SMILES:
CCSc1ccc2c(c1)c(=O)c1c(o2)cc(cc1)C(=O)Cl
Properties
Complexity:
428
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.012g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.771g/mol
Monoisotopic Mass:
318.012g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
68.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.