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21021-41-0 | 1H-Isoindole, 1,1,3-trichloro-
CAS No: 21021-41-0 Catalog No: AG002KNE MDL No:
Product Description
Catalog Number:
AG002KNE
Chemical Name:
1H-Isoindole, 1,1,3-trichloro-
CAS Number:
21021-41-0
Molecular Formula:
C8H4Cl3N
Molecular Weight:
220.4831
IUPAC Name:
1,1,3-trichloroisoindole
InChI:
InChI=1S/C8H4Cl3N/c9-7-5-3-1-2-4-6(5)8(10,11)12-7/h1-4H
InChI Key:
OXUCABITZLDHRA-UHFFFAOYSA-N
SMILES:
ClC1=NC(c2c1cccc2)(Cl)Cl
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.941g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.477g/mol
Monoisotopic Mass:
218.941g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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