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26608-39-9 | Propanamide, N-2-benzothiazolyl-2-chloro-
CAS No: 26608-39-9 Catalog No: AG002TV6 MDL No:MFCD06334630
Product Description
Catalog Number:
AG002TV6
Chemical Name:
Propanamide, N-2-benzothiazolyl-2-chloro-
CAS Number:
26608-39-9
Molecular Formula:
C10H9ClN2OS
Molecular Weight:
240.7093
MDL Number:
MFCD06334630
IUPAC Name:
N-(1,3-benzothiazol-2-yl)-2-chloropropanamide
InChI:
InChI=1S/C10H9ClN2OS/c1-6(11)9(14)13-10-12-7-4-2-3-5-8(7)15-10/h2-6H,1H3,(H,12,13,14)
InChI Key:
PGMYTKVYVIGKNK-UHFFFAOYSA-N
SMILES:
O=C(C(Cl)C)Nc1nc2c(s1)cccc2
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.012g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
240.705g/mol
Monoisotopic Mass:
240.012g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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