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332156-61-3 | 3,6-Dichloro-benzo[b]thiophene-2-carboxylic acid (2-bromo-4-methyl-phenyl)-amide
CAS No: 332156-61-3 Catalog No: AG01EV5A MDL No:
Product Description
Catalog Number:
AG01EV5A
Chemical Name:
3,6-Dichloro-benzo[b]thiophene-2-carboxylic acid (2-bromo-4-methyl-phenyl)-amide
CAS Number:
332156-61-3
Molecular Formula:
C16H10BrCl2NOS
Molecular Weight:
415.1317
IUPAC Name:
N-(2-bromo-4-methylphenyl)-3,6-dichloro-1-benzothiophene-2-carboxamide
InChI:
InChI=1S/C16H10BrCl2NOS/c1-8-2-5-12(11(17)6-8)20-16(21)15-14(19)10-4-3-9(18)7-13(10)22-15/h2-7H,1H3,(H,20,21)
InChI Key:
BNWCKXYKFSIOCW-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)Br)NC(=O)c1sc2c(c1Cl)ccc(c2)Cl
Properties
Complexity:
427
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
412.904g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
415.126g/mol
Monoisotopic Mass:
412.904g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
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