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127338-44-7 | 2-Naphthalenecarboxylic acid, 7-bromo-3-hydroxy-, ethyl ester
CAS No: 127338-44-7 Catalog No: AG000WWX MDL No:MFCD22376687
Product Description
Catalog Number:
AG000WWX
Chemical Name:
2-Naphthalenecarboxylic acid, 7-bromo-3-hydroxy-, ethyl ester
CAS Number:
127338-44-7
Molecular Formula:
C13H11BrO3
Molecular Weight:
295.1286
MDL Number:
MFCD22376687
IUPAC Name:
ethyl 7-bromo-3-hydroxynaphthalene-2-carboxylate
InChI:
InChI=1S/C13H11BrO3/c1-2-17-13(16)11-6-9-5-10(14)4-3-8(9)7-12(11)15/h3-7,15H,2H2,1H3
InChI Key:
LTEASLKGJBLLJO-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc2cc(Br)ccc2cc1O
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:
1
Isotope Atom Count:
0
Molecular Weight:
295.132g/mol
Monoisotopic Mass:
293.989g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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