6-Borono-2-naphthoic acid

CAT: 0127-OR1058331-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1058331-01Size:250 mg

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CAS Number

2377607-93-5

MDL Number

MFCD09751357

Purity

97%

Smiles

OB(C1=CC=C2C=C(C(O)=O)C=CC2=C1)O

Chemical Information

6-Carboxy-2-naphthaleneboronic acid

CAS Number	2377607-93-5
PubChem CID	45789834
IUPAC Name	6-borononaphthalene-2-carboxylic acid
Molecular Formula	C11H9BO4
Molecular Weight	216.00
Topological Polar Surface Area	77.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	16
Formal Charge	0
Complexity	269

SMILES

B(C1=CC2=C(C=C1)C=C(C=C2)C(=O)O)(O)O

InChI

InChI=1S/C11H9BO4/c13-11(14)9-2-1-8-6-10(12(15)16)4-3-7(8)5-9/h1-6,15-16H,(H,13,14)

InChIKey

UOYRMXZMTPOPCX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2377607-93-5

CID: 45789834

Formula: C11H9BO4

MW: 216.00

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	216.00
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	216.0593889
Monoisotopic Mass	216.0593889
Topological Polar Surface Area	77.8 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	269
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
OR1071924-01	5-Borono-1-naphthoic acid
OR1061470-01	6-Formyl-2-naphthoic acid
PC1010015	6- (Difluoromethoxy) -2-naphthoic acid
OR1098290	6-Propoxy-2-naphthoic acid
PC6622-01	6-Fluoro-2-naphthoic acid
OR51725-01	6-Amino-2-naphthoic acid
OR70092-01	6-Bromo-2-naphthoic acid
OR10498-01	6-Hydroxy-2-naphthoic acid
OR1089236-01	6-Isobutoxy-2-naphthoic acid
OR1088318	6-Isopropoxy-2-naphthoic acid

Catalog	Name
TRC-B675433-500MG	2-Borono-6-methoxybenzoic acid
415603-01	2-Borono-6-trifluoromethylbenzoic acid
C7044-100	6-Methoxy-2-naphthoic acid
FAA04297-01	6-Chloro-2-naphthoic acid
H7340-01	6-Hydroxy-2-Naphthoic Acid
FAA04305-01	6- (Dimethylamino) -2-naphthoic acid
sc-233575	6-Fluoro-2-naphthoic acid
sc-281468	6-Amino-2-naphthoic acid
sc-278462	6-Bromo-2-naphthoic acid
sc-268190	6-Acetoxy-2-naphthoic acid