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87992-62-9 | Acetamide, 2-iodo-N-[4-(6-methyl-2-benzothiazolyl)phenyl]-
CAS No: 87992-62-9 Catalog No: AG004HCR MDL No:
Product Description
Catalog Number:
AG004HCR
Chemical Name:
Acetamide, 2-iodo-N-[4-(6-methyl-2-benzothiazolyl)phenyl]-
CAS Number:
87992-62-9
Molecular Formula:
C16H13IN2OS
Molecular Weight:
408.2567
IUPAC Name:
2-iodo-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide
InChI:
InChI=1S/C16H13IN2OS/c1-10-2-7-13-14(8-10)21-16(19-13)11-3-5-12(6-4-11)18-15(20)9-17/h2-8H,9H2,1H3,(H,18,20)
InChI Key:
PKLHKGNTARKGAK-UHFFFAOYSA-N
SMILES:
ICC(=O)Nc1ccc(cc1)c1nc2c(s1)cc(cc2)C
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
407.979g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
408.257g/mol
Monoisotopic Mass:
407.979g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
70.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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