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89555-39-5 | 2-Naphthalenecarboxylic acid, 1-bromo-, methyl ester
CAS No: 89555-39-5 Catalog No: AG003ZG6 MDL No:
Product Description
Catalog Number:
AG003ZG6
Chemical Name:
2-Naphthalenecarboxylic acid, 1-bromo-, methyl ester
CAS Number:
89555-39-5
Molecular Formula:
C12H9BrO2
Molecular Weight:
265.1027
IUPAC Name:
methyl 1-bromonaphthalene-2-carboxylate
InChI:
InChI=1S/C12H9BrO2/c1-15-12(14)10-7-6-8-4-2-3-5-9(8)11(10)13/h2-7H,1H3
InChI Key:
DAUCSGSCDZOKLE-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc2c(c1Br)cccc2
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.979g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
265.106g/mol
Monoisotopic Mass:
263.979g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
Literature
| Title | Journal |
|---|---|
| Methyl 1-bromo-2-naphthoate. | Acta crystallographica. Section E, Structure reports online 20091201 |
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