Home Amines 1023524-08-4
1023524-08-4,MFCD00245775
Catalog No.:AA00IZZT
1023524-08-4 | 2-{[(5-nitro-1,3-thiazol-2-yl)amino]methylidene}-2,3-dihydro-1H-indene-1,3-dione
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10mg
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Technical Information
Catalog Number:
AA00IZZT
Chemical Name:
2-{[(5-nitro-1,3-thiazol-2-yl)amino]methylidene}-2,3-dihydro-1H-indene-1,3-dione
CAS Number:
1023524-08-4
Molecular Formula:
C13H7N3O4S
Molecular Weight:
301.2774
MDL Number:
MFCD00245775
IUPAC Name:
3-hydroxy-2-[(5-nitro-1,3-thiazol-2-yl)iminomethyl]inden-1-one
InChI:
InChI=1S/C13H7N3O4S/c17-11-7-3-1-2-4-8(7)12(18)9(11)5-14-13-15-6-10(21-13)16(19)20/h1-6,17H
InChI Key:
AYKIWCNGKVOFKZ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cnc(s1)NC=C1C(=O)c2c(C1=O)cccc2
Properties
Computed Properties
 
Complexity:
528  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.016g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
301.276g/mol
Monoisotopic Mass:
301.016g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
137A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
2.3  

Synonyms
 
1023524-08-4 
2-{[(5-nitro-1,3-thiazol-2-yl)amino]methylene}-1H-indene-1,3(2H)-dione 
2-(((3-NITRO-2,5-THIAZOLYL)AMINO)METHYLENE)INDANE-1,3-DIONE 
CTK5I4152 
2-{[(5-nitro-1,3-thiazol-2-yl)amino]methylidene}-2,3-dihydro-1H-indene-1,3-dione 
ZINC100944093 
KS-0000291I 
Literature
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