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70289-21-3 | 2,5-Pyrrolidinedione,1-[[(3-chlorophenyl)amino]methyl]-
CAS No: 70289-21-3 Catalog No: AG005KDD MDL No:
Product Description
Catalog Number:
AG005KDD
Chemical Name:
2,5-Pyrrolidinedione,1-[[(3-chlorophenyl)amino]methyl]-
CAS Number:
70289-21-3
Molecular Formula:
C11H11ClN2O2
Molecular Weight:
238.6702
IUPAC Name:
1-[(3-chloroanilino)methyl]pyrrolidine-2,5-dione
InChI:
InChI=1S/C11H11ClN2O2/c12-8-2-1-3-9(6-8)13-7-14-10(15)4-5-11(14)16/h1-3,6,13H,4-5,7H2
InChI Key:
KXBVFAPIVKCNEZ-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)NCN1C(=O)CCC1=O
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.051g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
238.671g/mol
Monoisotopic Mass:
238.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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