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87963-44-8 | 2,5-Cyclohexadien-1-one, 4-amino-3,5-dichloro-4-hydroxy-
CAS No: 87963-44-8 Catalog No: AG004D47 MDL No:
Product Description
Catalog Number:
AG004D47
Chemical Name:
2,5-Cyclohexadien-1-one, 4-amino-3,5-dichloro-4-hydroxy-
CAS Number:
87963-44-8
Molecular Formula:
C6H5Cl2NO2
Molecular Weight:
194.0154
IUPAC Name:
4-amino-3,5-dichloro-4-hydroxycyclohexa-2,5-dien-1-one
InChI:
InChI=1S/C6H5Cl2NO2/c7-4-1-3(10)2-5(8)6(4,9)11/h1-2,11H,9H2
InChI Key:
AAYJGOOJWKWNPK-UHFFFAOYSA-N
SMILES:
ClC1=CC(=O)C=C(C1(N)O)Cl
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.97g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
194.011g/mol
Monoisotopic Mass:
192.97g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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