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113424-97-8 | Benzo[b]thiophene-2-carboxamide, 3-chloro-N-(3-methoxyphenyl)-
CAS No: 113424-97-8 Catalog No: AG0008J3 MDL No:
Product Description
Catalog Number:
AG0008J3
Chemical Name:
Benzo[b]thiophene-2-carboxamide, 3-chloro-N-(3-methoxyphenyl)-
CAS Number:
113424-97-8
Molecular Formula:
C16H12ClNO2S
Molecular Weight:
317.7900
IUPAC Name:
3-chloro-N-(3-methoxyphenyl)-1-benzothiophene-2-carboxamide
InChI:
InChI=1S/C16H12ClNO2S/c1-20-11-6-4-5-10(9-11)18-16(19)15-14(17)12-7-2-3-8-13(12)21-15/h2-9H,1H3,(H,18,19)
InChI Key:
UBOCAYYVDQXXCU-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)NC(=O)c1sc2c(c1Cl)cccc2
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.028g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
317.787g/mol
Monoisotopic Mass:
317.028g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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