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332382-35-1 | 3-Chloro-6-methyl-benzo[b]thiophene-2-carboxylic acid (2-bromo-4-methyl-phenyl)-amide
CAS No: 332382-35-1 Catalog No: AG01EVAF MDL No:
Product Description
Catalog Number:
AG01EVAF
Chemical Name:
3-Chloro-6-methyl-benzo[b]thiophene-2-carboxylic acid (2-bromo-4-methyl-phenyl)-amide
CAS Number:
332382-35-1
Molecular Formula:
C17H13BrClNOS
Molecular Weight:
394.7132
IUPAC Name:
N-(2-bromo-4-methylphenyl)-3-chloro-6-methyl-1-benzothiophene-2-carboxamide
InChI:
InChI=1S/C17H13BrClNOS/c1-9-4-6-13(12(18)7-9)20-17(21)16-15(19)11-5-3-10(2)8-14(11)22-16/h3-8H,1-2H3,(H,20,21)
InChI Key:
RWMAMKDTBDVICH-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)Br)NC(=O)c1sc2c(c1Cl)ccc(c2)C
Properties
Complexity:
424
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
392.959g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
394.711g/mol
Monoisotopic Mass:
392.959g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
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