200,000+ products from a single source!
sales@angenechem.com
113461-65-7 | 1,4-Naphthalenedione, 6-(acetyloxy)-2-chloro-8-hydroxy-
CAS No: 113461-65-7 Catalog No: AG0008O6 MDL No:
Product Description
Catalog Number:
AG0008O6
Chemical Name:
1,4-Naphthalenedione, 6-(acetyloxy)-2-chloro-8-hydroxy-
CAS Number:
113461-65-7
Molecular Formula:
C12H7ClO5
Molecular Weight:
266.6340
IUPAC Name:
(6-chloro-4-hydroxy-5,8-dioxonaphthalen-2-yl) acetate
InChI:
InChI=1S/C12H7ClO5/c1-5(14)18-6-2-7-9(15)4-8(13)12(17)11(7)10(16)3-6/h2-4,16H,1H3
InChI Key:
OZJXUDZYODYMFV-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1cc(O)c2c(c1)C(=O)C=C(C2=O)Cl
Properties
Complexity:
442
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.998g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
266.633g/mol
Monoisotopic Mass:
265.998g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
80.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.