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100813-58-9 | 1H-Isoindole, 5,6-dichloro-3-methoxy-
CAS No: 100813-58-9 Catalog No: AG0002XW MDL No:
Product Description
Catalog Number:
AG0002XW
Chemical Name:
1H-Isoindole, 5,6-dichloro-3-methoxy-
CAS Number:
100813-58-9
Molecular Formula:
C9H7Cl2NO
Molecular Weight:
216.0640
IUPAC Name:
5,6-dichloro-3-methoxy-1H-isoindole
InChI:
InChI=1S/C9H7Cl2NO/c1-13-9-6-3-8(11)7(10)2-5(6)4-12-9/h2-3H,4H2,1H3
InChI Key:
JDDFKYCTEPZHSI-UHFFFAOYSA-N
SMILES:
COC1=NCc2c1cc(Cl)c(c2)Cl
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.99g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.061g/mol
Monoisotopic Mass:
214.99g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
21.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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