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87963-47-1 | 2,5-Cyclohexadien-1-one, 4-amino-2,5-dichloro-4-hydroxy-
CAS No: 87963-47-1 Catalog No: AG004G9H MDL No:
Product Description
Catalog Number:
AG004G9H
Chemical Name:
2,5-Cyclohexadien-1-one, 4-amino-2,5-dichloro-4-hydroxy-
CAS Number:
87963-47-1
Molecular Formula:
C6H5Cl2NO2
Molecular Weight:
194.0154
IUPAC Name:
4-amino-2,5-dichloro-4-hydroxycyclohexa-2,5-dien-1-one
InChI:
InChI=1S/C6H5Cl2NO2/c7-3-2-6(9,11)5(8)1-4(3)10/h1-2,11H,9H2
InChI Key:
KSFZDFLZONJFBZ-UHFFFAOYSA-N
SMILES:
O=C1C=C(Cl)C(C=C1Cl)(N)O
Properties
Complexity:
272
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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