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113767-29-6 | Propanamide, 3-chloro-N-(6-chloro-2-benzothiazolyl)-
CAS No: 113767-29-6 Catalog No: AG0009M3 MDL No:
Product Description
Catalog Number:
AG0009M3
Chemical Name:
Propanamide, 3-chloro-N-(6-chloro-2-benzothiazolyl)-
CAS Number:
113767-29-6
Molecular Formula:
C10H8Cl2N2OS
Molecular Weight:
275.1543
IUPAC Name:
3-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)propanamide
InChI:
InChI=1S/C10H8Cl2N2OS/c11-4-3-9(15)14-10-13-7-2-1-6(12)5-8(7)16-10/h1-2,5H,3-4H2,(H,13,14,15)
InChI Key:
GGPLIRKZIRYPDJ-UHFFFAOYSA-N
SMILES:
ClCCC(=O)Nc1nc2c(s1)cc(cc2)Cl
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.973g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
275.147g/mol
Monoisotopic Mass:
273.973g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
70.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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