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332381-91-6 | 3-Chloro-6-methyl-benzo[b]thiophene-2-carboxylic acid (4-bromo-phenyl)-amide
CAS No: 332381-91-6 Catalog No: AG01EV9Y MDL No:
Product Description
Catalog Number:
AG01EV9Y
Chemical Name:
3-Chloro-6-methyl-benzo[b]thiophene-2-carboxylic acid (4-bromo-phenyl)-amide
CAS Number:
332381-91-6
Molecular Formula:
C16H11BrClNOS
Molecular Weight:
380.6866
IUPAC Name:
N-(4-bromophenyl)-3-chloro-6-methyl-1-benzothiophene-2-carboxamide
InChI:
InChI=1S/C16H11BrClNOS/c1-9-2-7-12-13(8-9)21-15(14(12)18)16(20)19-11-5-3-10(17)4-6-11/h2-8H,1H3,(H,19,20)
InChI Key:
IPMKFNJTHUBHDG-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)NC(=O)c1sc2c(c1Cl)ccc(c2)C
Properties
Complexity:
389
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
378.943g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
380.684g/mol
Monoisotopic Mass:
378.943g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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