200,000+ products from a single source!
sales@angenechem.com
88235-13-6 | 3-Buten-2-one, 1-chloro-4-(2-thioxo-3(2H)-benzoxazolyl)-
CAS No: 88235-13-6 Catalog No: AG004B5L MDL No:
Product Description
Catalog Number:
AG004B5L
Chemical Name:
3-Buten-2-one, 1-chloro-4-(2-thioxo-3(2H)-benzoxazolyl)-
CAS Number:
88235-13-6
Molecular Formula:
C11H8ClNO2S
Molecular Weight:
253.7047
IUPAC Name:
1-chloro-4-(2-sulfanylidene-1,3-benzoxazol-3-yl)but-3-en-2-one
InChI:
InChI=1S/C11H8ClNO2S/c12-7-8(14)5-6-13-9-3-1-2-4-10(9)15-11(13)16/h1-6H,7H2
InChI Key:
KLDPUUUHNCAUBU-UHFFFAOYSA-N
SMILES:
ClCC(=O)C=Cn1c(=S)oc2c1cccc2
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.996g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.7g/mol
Monoisotopic Mass:
252.996g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.