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26037-61-6

26037-61-6 | 1,4-Naphthalenedione, 2-bromo-3-methoxy-

CAS No: 26037-61-6 Catalog No: AG002RGK MDL No:

Product Description

Catalog Number:
AG002RGK
Chemical Name:
1,4-Naphthalenedione, 2-bromo-3-methoxy-
CAS Number:
26037-61-6
Molecular Formula:
C11H7BrO3
Molecular Weight:
267.0755
IUPAC Name:
2-bromo-3-methoxynaphthalene-1,4-dione
InChI:
InChI=1S/C11H7BrO3/c1-15-11-8(12)9(13)6-4-2-3-5-7(6)10(11)14/h2-5H,1H3
InChI Key:
LTURAHVRIBEEPR-UHFFFAOYSA-N
SMILES:
COC1=C(Br)C(=O)c2c(C1=O)cccc2

Properties

Complexity:
346  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.958g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.078g/mol
Monoisotopic Mass:
265.958g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  

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