Name: Name:2-Naphthalenecarboxylic acid, 1-bromo-, methyl ester
Brand: Angene
SKU: AG003ZG6
Rating: 90 (10 reviews)

2-Naphthalenecarboxylic acid, 1-bromo-, methyl ester

CAS No.:

89555-39-5

Catalog Number:

AG003ZG6

Molecular Formula:

C12H9BrO2

Molecular Weight:

265.1027

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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

MDL Number:

MFCD06203695

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:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

263.979g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

265.106g/mol

Monoisotopic Mass:

263.979g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

26.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.7

Literature

Title	Journal
Methyl 1-bromo-2-naphthoate.	Acta crystallographica. Section E, Structure reports online 20091201