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123266-51-3 | 2-Naphthalenecarboxylic acid, 7-bromo-3-methoxy-, methyl ester
CAS No: 123266-51-3 Catalog No: AG000K8G MDL No:
Product Description
Catalog Number:
AG000K8G
Chemical Name:
2-Naphthalenecarboxylic acid, 7-bromo-3-methoxy-, methyl ester
CAS Number:
123266-51-3
Molecular Formula:
C13H11BrO3
Molecular Weight:
295.1286
IUPAC Name:
methyl 7-bromo-3-methoxynaphthalene-2-carboxylate
InChI:
InChI=1S/C13H11BrO3/c1-16-12-7-8-3-4-10(14)5-9(8)6-11(12)13(15)17-2/h3-7H,1-2H3
InChI Key:
RDTGKUXAFSMVJE-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc2cc(Br)ccc2cc1OC
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.989g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
295.132g/mol
Monoisotopic Mass:
293.989g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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