Phenanthrene-9-boronic acid

CAT: 0127-OR5963-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-OR5963-01Size:5 g

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CAS Number

68572-87-2

MDL Number

MFCD00143524

Purity

98%

Smiles

OB(O)c1cc2ccccc2c3ccccc13

Chemical Information

9-Phenanthracenylboronic acid

CAS Number	68572-87-2
PubChem CID	11775704
IUPAC Name	phenanthren-9-ylboronic acid
Molecular Formula	C14H11BO2
Molecular Weight	222.05
Topological Polar Surface Area	40.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	17
Formal Charge	0
Complexity	269

SMILES

B(C1=CC2=CC=CC=C2C3=CC=CC=C13)(O)O

InChI

InChI=1S/C14H11BO2/c16-15(17)14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14/h1-9,16-17H

InChIKey

JCDAUYWOHOLVMH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 68572-87-2

CID: 11775704

Formula: C14H11BO2

MW: 222.05

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	222.05
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	222.0852098
Monoisotopic Mass	222.0852098
Topological Polar Surface Area	40.5 Å²
Heavy Atom Count	17
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
OR41157-01	Phenanthrene-2-boronic acid
OR74747-01	Phenanthrene-9-carboxylic acid
OR1081066-01	9- (Methylthio) phenanthrene
OR1085155-01	9- (Phenylthio) phenanthrene
OR1047726-01	9- (Bromomethyl) phenanthrene
OR1081422-01	9- (benzyloxy) phenanthrene
OR1094039-01	9- (Ethylthio) phenanthrene
OR74095-01	Phenanthrene-9-carbaldehyde
OR1052107-01	(4- (Phenanthren-9-yl) phenyl) boronic acid
OR1085942-01	9- (Trimethylsilyl) phenanthrene

Catalog	Name
sc-396374	9,9'-Spirobifluorene-2-boronic acid
sc-396385	10-Phenylanthracene-9-boronic acid
411602-01	10-Bromoanthracene-9-boronic acid
JH919493	(10-bromophenanthren-9-yl) boronic acid
1346007-05-3-01	9,9-Spirodifluorene-3-Boronic acid pinacol ester
569343-09-5-01	9,9-Dimethylfluorene-2-boronic acid pinacol ester
236389-21-2	9,9'-Spirobi[9H-fluorene]-2-boronic Acid
371193-08-7-01	9,9-Dihexyl-9H-fluoren-2-boronic acid
884336-44-1-01	9,9-Spirodifluorene-2-Boronic acid pinacol ester
JH918398	9,9-DiMethylfluorene-3-boronic acid pinacol ester