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89414-71-1 | 1,4-Naphthalenedione, 2-chloro-5-methoxy-6-(2-propenyl)-
CAS No: 89414-71-1 Catalog No: AG0044TN MDL No:
Product Description
Catalog Number:
AG0044TN
Chemical Name:
1,4-Naphthalenedione, 2-chloro-5-methoxy-6-(2-propenyl)-
CAS Number:
89414-71-1
Molecular Formula:
C14H11ClO3
Molecular Weight:
262.6883
IUPAC Name:
2-chloro-5-methoxy-6-prop-2-enylnaphthalene-1,4-dione
InChI:
InChI=1S/C14H11ClO3/c1-3-4-8-5-6-9-12(14(8)18-2)11(16)7-10(15)13(9)17/h3,5-7H,1,4H2,2H3
InChI Key:
LAFRWTOEDIMTLU-UHFFFAOYSA-N
SMILES:
C=CCc1ccc2c(c1OC)C(=O)C=C(C2=O)Cl
Properties
Complexity:
413
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.04g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.689g/mol
Monoisotopic Mass:
262.04g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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