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18241-76-4

18241-76-4 | 1H-Pyrrole-2,5-dione, 3-chloro-1-methyl-4-(methylamino)-

CAS No: 18241-76-4 Catalog No: AG0023V5 MDL No:

Product Description

Catalog Number:
AG0023V5
Chemical Name:
1H-Pyrrole-2,5-dione, 3-chloro-1-methyl-4-(methylamino)-
CAS Number:
18241-76-4
Molecular Formula:
C6H7ClN2O2
Molecular Weight:
174.5850
IUPAC Name:
3-chloro-1-methyl-4-(methylamino)pyrrole-2,5-dione
InChI:
InChI=1S/C6H7ClN2O2/c1-8-4-3(7)5(10)9(2)6(4)11/h8H,1-2H3
InChI Key:
XMKOVNALODKLRL-UHFFFAOYSA-N
SMILES:
CNC1=C(Cl)C(=O)N(C1=O)C

Properties

Complexity:
259  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.02g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
174.584g/mol
Monoisotopic Mass:
174.02g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  

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