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14737-80-5 | 1H-Isoindole-1,3(2H)-dione, 4,5,6,7-tetrachloro-2-methyl-
CAS No: 14737-80-5 Catalog No: AG001EVD MDL No:MFCD07368041
Product Description
Catalog Number:
AG001EVD
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 4,5,6,7-tetrachloro-2-methyl-
CAS Number:
14737-80-5
Molecular Formula:
C9H3Cl4NO2
Molecular Weight:
298.9376
MDL Number:
MFCD07368041
IUPAC Name:
4,5,6,7-tetrachloro-2-methylisoindole-1,3-dione
InChI:
InChI=1S/C9H3Cl4NO2/c1-14-8(15)2-3(9(14)16)5(11)7(13)6(12)4(2)10/h1H3
InChI Key:
OHCSZUQRNNNMRG-UHFFFAOYSA-N
SMILES:
CN1C(=O)c2c(C1=O)c(Cl)c(c(c2Cl)Cl)Cl
EC Number:
238-799-5
NSC Number:
45112
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.889g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.928g/mol
Monoisotopic Mass:
296.892g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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