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828252-47-7 | 1H-Indole-2,3-dione, 4-chloro-5-hydroxy-
CAS No: 828252-47-7 Catalog No: AG004T3L MDL No:
Product Description
Catalog Number:
AG004T3L
Chemical Name:
1H-Indole-2,3-dione, 4-chloro-5-hydroxy-
CAS Number:
828252-47-7
Molecular Formula:
C8H4ClNO3
Molecular Weight:
197.5753
IUPAC Name:
4-chloro-5-hydroxy-1H-indole-2,3-dione
InChI:
InChI=1S/C8H4ClNO3/c9-6-4(11)2-1-3-5(6)7(12)8(13)10-3/h1-2,11H,(H,10,12,13)
InChI Key:
SMLJZKKAFBILEP-UHFFFAOYSA-N
SMILES:
O=C1Nc2c(C1=O)c(Cl)c(cc2)O
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.988g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
197.574g/mol
Monoisotopic Mass:
196.988g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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