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83228-50-6

83228-50-6 | 1,4-Naphthalenedione, 2-chloro-7-methoxy-

CAS No: 83228-50-6 Catalog No: AG004U9Q MDL No:

Product Description

Catalog Number:
AG004U9Q
Chemical Name:
1,4-Naphthalenedione, 2-chloro-7-methoxy-
CAS Number:
83228-50-6
Molecular Formula:
C11H7ClO3
Molecular Weight:
222.6245
IUPAC Name:
2-chloro-7-methoxynaphthalene-1,4-dione
InChI:
InChI=1S/C11H7ClO3/c1-15-6-2-3-7-8(4-6)11(14)9(12)5-10(7)13/h2-5H,1H3
InChI Key:
VLSLXISHYFTZKH-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)C(=O)C(=CC2=O)Cl

Properties

Complexity:
335  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.008g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.624g/mol
Monoisotopic Mass:
222.008g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  

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