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Home Other Building Blocks 4-Amino-2-(p-tolyl)isoindoline-1,3-dione

4-Amino-2-(p-tolyl)isoindoline-1,3-dione

CAS No.:
20871-07-2
Catalog Number:
AG01F4JL
Molecular Formula:
C15H12N2O2
Molecular Weight:
252.2680
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
1 week
United States
$260
- +
250mg
1 week
United States
$413
- +
Product Description
Catalog Number:
AG01F4JL
Chemical Name:
4-Amino-2-(p-tolyl)isoindoline-1,3-dione
CAS Number:
20871-07-2
Molecular Formula:
C15H12N2O2
Molecular Weight:
252.2680
MDL Number:
MFCD00432434
IUPAC Name:
4-amino-2-(4-methylphenyl)isoindole-1,3-dione
InChI:
InChI=1S/C15H12N2O2/c1-9-5-7-10(8-6-9)17-14(18)11-3-2-4-12(16)13(11)15(17)19/h2-8H,16H2,1H3
InChI Key:
LTZXDGYVXKFIET-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)N1C(=O)c2c(C1=O)c(N)ccc2
Properties
Complexity:
388  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.09g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
252.273g/mol
Monoisotopic Mass:
252.09g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
63.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Literature
Title Journal
Structure-based discovery of novel chemotypes for adenosine A(2A) receptor antagonists. Journal of medicinal chemistry 20100225
Properties