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24857-20-3 | 2,5-Cyclohexadien-1-one, 4-[[4-(acetyloxy)phenyl]imino]-2,6-dichloro-
CAS No: 24857-20-3 Catalog No: AG002PNC MDL No:
Product Description
Catalog Number:
AG002PNC
Chemical Name:
2,5-Cyclohexadien-1-one, 4-[[4-(acetyloxy)phenyl]imino]-2,6-dichloro-
CAS Number:
24857-20-3
Molecular Formula:
C14H9Cl2NO3
Molecular Weight:
310.1322
IUPAC Name:
[4-[(3,5-dichloro-4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenyl] acetate
InChI:
InChI=1S/C14H9Cl2NO3/c1-8(18)20-11-4-2-9(3-5-11)17-10-6-12(15)14(19)13(16)7-10/h2-7H,1H3
InChI Key:
TTWHMYKNQLOAIV-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1ccc(cc1)N=C1C=C(Cl)C(=O)C(=C1)Cl
EC Number:
246-503-0
NSC Number:
90576
Properties
Complexity:
491
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.996g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
310.13g/mol
Monoisotopic Mass:
308.996g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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