Butylboronic acid

CAT: 0024-sc-252528ASize: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-252528ASize:5 g

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CAS Number

4426-47-5

Chemical Information

Butylboronic Acid

structure in first source

CAS Number	4426-47-5
PubChem CID	20479
IUPAC Name	butylboronic acid
Molecular Formula	C4H11BO2
Molecular Weight	101.94
Topological Polar Surface Area	40.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	7
Formal Charge	0
Complexity	38

SMILES

B(CCCC)(O)O

InChI

InChI=1S/C4H11BO2/c1-2-3-4-5(6)7/h6-7H,2-4H2,1H3

InChIKey

QPKFVRWIISEVCW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 4426-47-5

CID: 20479

Formula: C4H11BO2

MW: 101.94

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	101.94
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	102.0852098
Monoisotopic Mass	102.0852098
Topological Polar Surface Area	40.5 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	38.7
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
sc-208628	1-Butenylboronic Acid
sc-226134	3-Methyl-2-butenylboronic acid pinacol ester
sc-207666	Ethylenediaminediacetic Acid Dipropionic Acid
sc-278835	Chenodeoxycholic acid, free acid
sc-278835A	Chenodeoxycholic acid, free acid
sc-258296	Trifluoroacetic acid, anhydride with trifluoromethanesulfonic acid
sc-489909	Fluvoxamine Acid Trifluoroacetic Acid Salt
sc-202686	L-Ascorbic acid, free acid
sc-208143	P-Aminobenzoic acid, Free Acid
sc-208143B	P-Aminobenzoic acid, Free Acid

Catalog	Name
HY-W000932-01	Butylboronic acid
416457-01	2-Butylboronic acid
OR10619-01	N-Butylboronic acid
OR95300-01	Sec-Butylboronic acid
458441-01	N-Butylboronic acid, pinacol ester
232029-01	3-Methyl-1-butylboronic acid
OR9319-01	Tert-Butylboronic acid, pinacol ester
FB153689	Tert-Butylboronic acid pinacol ester
OR1071368-01	Acid-apeg6-acid
MBS6083807-01	Medronic Acid (Methylenebiphosphonic Acid, Methylenediphosphonic Acid, Methanebisphosphonic Acid, Methanediphosphonic Acid, MDP)