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175204-91-8 | 2-Naphthalenecarboxylic acid, 4,7-dibromo-3-methoxy-, methyl ester
CAS No: 175204-91-8 Catalog No: AG0020NT MDL No:MFCD00173895
Product Description
Catalog Number:
AG0020NT
Chemical Name:
2-Naphthalenecarboxylic acid, 4,7-dibromo-3-methoxy-, methyl ester
CAS Number:
175204-91-8
Molecular Formula:
C13H10Br2O3
Molecular Weight:
374.0247
MDL Number:
MFCD00173895
IUPAC Name:
methyl 4,7-dibromo-3-methoxynaphthalene-2-carboxylate
InChI:
InChI=1S/C13H10Br2O3/c1-17-12-10(13(16)18-2)6-7-5-8(14)3-4-9(7)11(12)15/h3-6H,1-2H3
InChI Key:
HOLPDXPBBBQZLM-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc2cc(Br)ccc2c(c1OC)Br
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
373.898g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
374.028g/mol
Monoisotopic Mass:
371.9g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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