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18774-46-4 | Acetamide, N-(3-cyanobenzo[b]thien-2-yl)-
CAS No: 18774-46-4 Catalog No: AG002GGQ MDL No:
Product Description
Catalog Number:
AG002GGQ
Chemical Name:
Acetamide, N-(3-cyanobenzo[b]thien-2-yl)-
CAS Number:
18774-46-4
Molecular Formula:
C11H8N2OS
Molecular Weight:
216.2590
IUPAC Name:
N-(3-cyano-1-benzothiophen-2-yl)acetamide
InChI:
InChI=1S/C11H8N2OS/c1-7(14)13-11-9(6-12)8-4-2-3-5-10(8)15-11/h2-5H,1H3,(H,13,14)
InChI Key:
RWABYXVDJUFVQY-UHFFFAOYSA-N
SMILES:
N#Cc1c(NC(=O)C)sc2c1cccc2
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.036g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.258g/mol
Monoisotopic Mass:
216.036g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
81.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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