Cyclopropylboronic Acid Mida Ester

CAT: 0127-OR1012748-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1012748-01Size:250 mg

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CAS Number

1104637-36-6

MDL Number

MFCD30469473

Purity

99%

Smiles

CN1CC(=O)OB(OC(=O)C1)C2CC2

Chemical Information

2-Cyclopropyl-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione

CAS Number	1104637-36-6
PubChem CID	44138342
IUPAC Name	2-cyclopropyl-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione
Molecular Formula	C8H12BNO4
Molecular Weight	197.00
Topological Polar Surface Area	55.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Heavy Atom Count	14
Formal Charge	0
Complexity	246

SMILES

B1(OC(=O)CN(CC(=O)O1)C)C2CC2

InChI

InChI=1S/C8H12BNO4/c1-10-4-7(11)13-9(6-2-3-6)14-8(12)5-10/h6H,2-5H2,1H3

InChIKey

LLXFTRDFBQZFSN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1104637-36-6

CID: 44138342

Formula: C8H12BNO4

MW: 197.00

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	197.00
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	197.0859380
Monoisotopic Mass	197.0859380
Topological Polar Surface Area	55.8 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	246
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
OR9317-01	Cyclopropylboronic acid pinacol ester
OR1014651-01	Phenylboronic Acid Mida Ester
OR938746-01	Methylboronic acid mida ester
OR6228-01	Cyclopropylboronic acid
PC1010256	3-Fluorophenylboronic acid mida ester
OR1076841-01	3-Bromophenylboronic Acid Mida Ester
OR1010966-01	3-Cyanophenylboronic Acid Mida Ester
OR1010416-01	2-Cyanophenylboronic Acid Mida Ester
OR1010319-01	2-Benzofuranylboronic Acid Mida Ester
OR1006620-01	5-Bromo-2-thiophenylboronic acid mida ester

Catalog	Name
445373-01	Cyclopropylboronic acid, pinacol ester
sc-227726	Cyclopropylboronic acid pinacol ester
SEA31184-01	Cyclopentylboronic acid MIDA ester
FV159926-01	Vinylboronic acid MIDA ester
EUB63753-01	Ethynylboronic acid mida ester
sc-480694	Phenylboronic acid MIDA ester
TRC-E932168-250MG	Ethynylboronic Acid MIDA Ester (>90%)
sc-480760	2-Chlorophenylboronic acid MIDA ester
1104636-68-1-01	Trans-2-Bromovinylboronic acid MIDA ester
437067-01	5-Thiazole Boronic Acid MIDA Ester