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65120-69-6 | 2-Chloro-8-hydroxy-6-methoxy-1,4-naphthoquinone
CAS No: 65120-69-6 Catalog No: AG003H18 MDL No:
Product Description
Catalog Number:
AG003H18
Chemical Name:
2-Chloro-8-hydroxy-6-methoxy-1,4-naphthoquinone
CAS Number:
65120-69-6
Molecular Formula:
C11H7ClO4
Molecular Weight:
238.6239
IUPAC Name:
2-chloro-8-hydroxy-6-methoxynaphthalene-1,4-dione
InChI:
InChI=1S/C11H7ClO4/c1-16-5-2-6-8(13)4-7(12)11(15)10(6)9(14)3-5/h2-4,14H,1H3
InChI Key:
CEQWFJADWPVYTH-UHFFFAOYSA-N
SMILES:
COc1cc(O)c2c(c1)C(=O)C=C(C2=O)Cl
NSC Number:
627586
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.003g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
238.623g/mol
Monoisotopic Mass:
238.003g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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