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874590-17-7 | N-(6-Acetylamino-benzothiazol-2-yl)-2-chloro-acetamide
CAS No: 874590-17-7 Catalog No: AG01F83Z MDL No:
Product Description
Catalog Number:
AG01F83Z
Chemical Name:
N-(6-Acetylamino-benzothiazol-2-yl)-2-chloro-acetamide
CAS Number:
874590-17-7
Molecular Formula:
C11H10ClN3O2S
Molecular Weight:
283.7340
IUPAC Name:
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-chloroacetamide
InChI:
InChI=1S/C11H10ClN3O2S/c1-6(16)13-7-2-3-8-9(4-7)18-11(14-8)15-10(17)5-12/h2-4H,5H2,1H3,(H,13,16)(H,14,15,17)
InChI Key:
JRUJUWJCYPWFQN-UHFFFAOYSA-N
SMILES:
ClCC(=O)Nc1nc2c(s1)cc(cc2)NC(=O)C
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.018g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
283.73g/mol
Monoisotopic Mass:
283.018g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
99.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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