Methyl 5-Bromo-1-naphthoate - CAS 59866-97-6

Name: Methyl 5-Bromo-1-naphthoate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB030537
Product Name:	Methyl 5-Bromo-1-naphthoate
CAS:	59866-97-6
Synonyms:	5-bromo-1-naphthalenecarboxylic acid methyl ester; methyl 5-bromonaphthalene-1-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl 5-bromonaphthalene-1-carboxylate
Description:	Methyl 5-Bromo-1-naphthoate (CAS# 59866-97-6 ) is a useful research chemical.
Molecular Weight:	265.10
Molecular Formula:	C12H9BrO2
Canonical SMILES:	COC(=O)C1=CC=CC2=C1C=CC=C2Br
InChI:	InChI=1S/C12H9BrO2/c1-15-12(14)10-6-2-5-9-8(10)4-3-7-11(9)13/h2-7H,1H3
InChI Key:	MGAHYBCONLQGDK-UHFFFAOYSA-N
Appearance:	Solid
LogP:	3.38890

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Related Functional Groups

Carbonyl Compounds

[1383427-98-2]C7H13ClN2O2
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate
[1018141-88-2]C17H14N4O2
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[55441-25-3]C8H7N3O
1-(2-Cyanophenyl)urea
[1006443-01-1]C9H6N4O4
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[2168559-63-3]C8H10ClNO2
2-(6-Methyl-2-pyridyl)acetic Acid Hydrochloride

Other Building Blocks

[951987-97-6]C14H13N5O2
N-((4-Oxo-1-phenyl-4,7-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)methyl)acetamide
[138381-83-6]C21H23NO6
4,6-O-Benzylidene-N-Cbz-1-deoxynojirimycin
[6332-13-4]C9H13NO
4-Aminophenyl Ethyl Carbinol
[86271-48-9]C9H19NO3
5-[Bis(2-hydroxyethyl)amino]-2-pentanone
C18H29N5O2
(3R,4R)-tert-Butyl 3-((6,7-Dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)(methyl)amino)-4-methylpiperidine-1-carboxylate
C14H20N2O6
(2R,5S,10aS,10bS)-10b-Hydroxy-5-isopropyl-2-methyl-3,6-dioxooctahydro-2H-oxazolo[3,2-a]pyrrolo[2,1-c]pyrazine-2-carboxylic Acid

Publication Number	Title	Priority Date
WO-2020072580-A1	Matriptase 2 inhibitors and uses thereof	20181002
CN-112996529-A	Matriptase 2 inhibitor and application thereof	20181002
EP-3860636-A1	Matriptase 2 inhibitors and uses thereof	20181002
AU-2017228385-A1	Substituted indole Mcl-1 inhibitors	20160304
CA-3016182-A1	Substituted indole mcl-1 inhibitors	20160304

Complexity:	242
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	263.97859
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	263.97859
Rotatable Bond Count:	2
Topological Polar Surface Area:	26.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.7