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87963-48-2 | 2,5-Cyclohexadien-1-one, 4-amino-2,3,5-trichloro-4-hydroxy-
CAS No: 87963-48-2 Catalog No: AG004G9G MDL No:
Product Description
Catalog Number:
AG004G9G
Chemical Name:
2,5-Cyclohexadien-1-one, 4-amino-2,3,5-trichloro-4-hydroxy-
CAS Number:
87963-48-2
Molecular Formula:
C6H4Cl3NO2
Molecular Weight:
228.4605
IUPAC Name:
4-amino-2,3,5-trichloro-4-hydroxycyclohexa-2,5-dien-1-one
InChI:
InChI=1S/C6H4Cl3NO2/c7-3-1-2(11)4(8)5(9)6(3,10)12/h1,12H,10H2
InChI Key:
QDVXVZIZVUMOOX-UHFFFAOYSA-N
SMILES:
O=C1C=C(Cl)C(C(=C1Cl)Cl)(N)O
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.931g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
228.453g/mol
Monoisotopic Mass:
226.931g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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