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1332605-88-5

1332605-88-5 | 1H-Indole-2,3-dione, 6-chloro-4-(trifluoromethyl)-

CAS No: 1332605-88-5 Catalog No: AG0014I1 MDL No:

Product Description

Catalog Number:
AG0014I1
Chemical Name:
1H-Indole-2,3-dione, 6-chloro-4-(trifluoromethyl)-
CAS Number:
1332605-88-5
Molecular Formula:
C9H3ClF3NO2
Molecular Weight:
249.5738
IUPAC Name:
6-chloro-4-(trifluoromethyl)-1H-indole-2,3-dione
InChI:
InChI=1S/C9H3ClF3NO2/c10-3-1-4(9(11,12)13)6-5(2-3)14-8(16)7(6)15/h1-2H,(H,14,15,16)
InChI Key:
CNCGTPCOKUTXNC-UHFFFAOYSA-N
SMILES:
Clc1cc2NC(=O)C(=O)c2c(c1)C(F)(F)F

Properties

Complexity:
344  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.98g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
249.573g/mol
Monoisotopic Mass:
248.98g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  

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