4-Bromo-1-hydroxy-2-naphthoic acid

CAT: 0127-OR1056745-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1056745-01Size:100 mg

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CAS Number

5813-37-6

MDL Number

MFCD00021504

Purity

97%

Smiles

O=C(O)C1=CC(Br)=C2C=CC=CC2=C1O

Chemical Information

4-Bromo-1-hydroxynaphthalene-2-carboxylic acid

CAS Number	5813-37-6
PubChem CID	289393
IUPAC Name	4-bromo-1-hydroxynaphthalene-2-carboxylic acid
Molecular Formula	C11H7BrO3
Molecular Weight	267.07
XLogP	3.6
Topological Polar Surface Area	57.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	15
Formal Charge	0
Complexity	256

SMILES

C1=CC=C2C(=C1)C(=CC(=C2O)C(=O)O)Br

InChI

InChI=1S/C11H7BrO3/c12-9-5-8(11(14)15)10(13)7-4-2-1-3-6(7)9/h1-5,13H,(H,14,15)

InChIKey

ORABWYPHDRBFAX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 5813-37-6

CID: 289393

Formula: C11H7BrO3

MW: 267.07

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	267.07
XLogP3	3.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	265.95786
Monoisotopic Mass	265.95786
Topological Polar Surface Area	57.5 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	256
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1026799-01	4-Bromo-3-Hydroxy-2-Naphthoic Acid
OR510222-01	4-Hydroxy-2-naphthoic acid
OR87919-01	4-Bromo-2-naphthoic acid
OR80200-01	7-Bromo-3-hydroxy-2-naphthoic acid
OR3541-01	4-Bromo-1-naphthoic acid
BUP19054	1-Hydroxy-2-naphthoic acid
OR920361-01	2-Hydroxy-1-naphthoic acid
OR60129-01	1-Hydroxy-2-naphthoic acid
PC1025721	4-Bromo-1-fluoro-2-naphthoic acid
OR10498-01	6-Hydroxy-2-naphthoic acid

Catalog	Name
sc-485177	4-Bromo-3-hydroxy-2-naphthoic Acid
HY-32681-01	4-Hydroxy-2-naphthoic acid
RG-P022552-01	4-Hydroxy-1-Naphthoic Acid
TRC-B697935-100MG	4-Bromo-1-naphthoic acid
FH24210-01	1-Hydroxy-2-naphthoic acid
sc-230377	2-Hydroxy-1-naphthoic acid