200,000+ products from a single source!
sales@angenechem.com
125488-14-4 | Thiocyanic acid, 2-(2,4-dichlorophenyl)-2-oxoethyl ester
CAS No: 125488-14-4 Catalog No: AG000NQE MDL No:MFCD03453108
Product Description
Catalog Number:
AG000NQE
Chemical Name:
Thiocyanic acid, 2-(2,4-dichlorophenyl)-2-oxoethyl ester
CAS Number:
125488-14-4
Molecular Formula:
C9H5Cl2NOS
Molecular Weight:
246.1131
MDL Number:
MFCD03453108
IUPAC Name:
[2-(2,4-dichlorophenyl)-2-oxoethyl] thiocyanate
InChI:
InChI=1S/C9H5Cl2NOS/c10-6-1-2-7(8(11)3-6)9(13)4-14-5-12/h1-3H,4H2
InChI Key:
XYNNFKLKIQXPHS-UHFFFAOYSA-N
SMILES:
N#CSCC(=O)c1ccc(cc1Cl)Cl
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.947g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.105g/mol
Monoisotopic Mass:
244.947g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.2A^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.