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15012-66-5 | 1,4-Naphthalenedione, 2-chloro-5,8-dihydroxy-3-methoxy-
CAS No: 15012-66-5 Catalog No: AG001MCP MDL No:
Product Description
Catalog Number:
AG001MCP
Chemical Name:
1,4-Naphthalenedione, 2-chloro-5,8-dihydroxy-3-methoxy-
CAS Number:
15012-66-5
Molecular Formula:
C11H7ClO5
Molecular Weight:
254.6233
IUPAC Name:
2-chloro-5,8-dihydroxy-3-methoxynaphthalene-1,4-dione
InChI:
InChI=1S/C11H7ClO5/c1-17-11-8(12)9(15)6-4(13)2-3-5(14)7(6)10(11)16/h2-3,13-14H,1H3
InChI Key:
LHKORPVWCWZALZ-UHFFFAOYSA-N
SMILES:
COC1=C(Cl)C(=O)c2c(C1=O)c(O)ccc2O
NSC Number:
659996
Properties
Complexity:
403
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.998g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
254.622g/mol
Monoisotopic Mass:
253.998g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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