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158205-18-6 | Acetamide, N-(6-bromo-2,3-dihydro-1-oxo-1H-inden-5-yl)-
CAS No: 158205-18-6 Catalog No: AG001Q17 MDL No:
Product Description
Catalog Number:
AG001Q17
Chemical Name:
Acetamide, N-(6-bromo-2,3-dihydro-1-oxo-1H-inden-5-yl)-
CAS Number:
158205-18-6
Molecular Formula:
C11H10BrNO2
Molecular Weight:
268.1066
IUPAC Name:
N-(6-bromo-1-oxo-2,3-dihydroinden-5-yl)acetamide
InChI:
InChI=1S/C11H10BrNO2/c1-6(14)13-10-4-7-2-3-11(15)8(7)5-9(10)12/h4-5H,2-3H2,1H3,(H,13,14)
InChI Key:
YHERMLQVYMECSV-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1cc2CCC(=O)c2cc1Br
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.989g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
268.11g/mol
Monoisotopic Mass:
266.989g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Literature
| Title | Journal |
|---|---|
| Antifolate chemistry: synthesis of 4-[N-[(6RS)-2-methyl-4-oxo-3,4,7,8-tetrahydro-6H-cyclopenta[g]quinazolin-6-yl]-N-(prop-2-ynyl)amino]benzoic acid via a (propargyl)Co2(CO)6+ complex. | Organic & biomolecular chemistry 20030607 |
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