Methylboronic acid mida ester

CAT: 0127-OR938746-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR938746-01Size:1 g

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CAS Number

1104637-40-2

MDL Number

MFCD11215248

Purity

98%

Smiles

CB1OC(=O)CN(C)CC(=O)O1

Chemical Information

2,6-Dimethyl-1,3,6,2-dioxazaborocane-4,8-dione

CAS Number	1104637-40-2
PubChem CID	67516783
IUPAC Name	2,6-dimethyl-1,3,6,2-dioxazaborocane-4,8-dione
Molecular Formula	C6H10BNO4
Molecular Weight	170.96
Topological Polar Surface Area	55.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Heavy Atom Count	12
Formal Charge	0
Complexity	188

SMILES

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

InChI

InChI=1S/C6H10BNO4/c1-7-11-5(9)3-8(2)4-6(10)12-7/h3-4H2,1-2H3

InChIKey

VXMLSGMSTPGVIA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1104637-40-2

CID: 67516783

Formula: C6H10BNO4

MW: 170.96

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	170.96
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Exact Mass	171.0702880
Monoisotopic Mass	171.0702880
Topological Polar Surface Area	55.8 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	188
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
OR908873-01	Methylboronic acid pinacol ester
OR1012748-01	Cyclopropylboronic Acid Mida Ester
OR1014651-01	Phenylboronic Acid Mida Ester
OR3322-01	Methylboronic acid
PC1010256	3-Fluorophenylboronic acid mida ester
OR1076841-01	3-Bromophenylboronic Acid Mida Ester
OR1010319-01	2-Benzofuranylboronic Acid Mida Ester
OR1010966-01	3-Cyanophenylboronic Acid Mida Ester
OR1010416-01	2-Cyanophenylboronic Acid Mida Ester
OR1006620-01	5-Bromo-2-thiophenylboronic acid mida ester

Catalog	Name
283458-01	Methylboronic acid pinacol ester
EUB63753-01	Ethynylboronic acid mida ester
SEA31184-01	Cyclopentylboronic acid MIDA ester
FV159926-01	Vinylboronic acid MIDA ester
sc-480694	Phenylboronic acid MIDA ester
HY-W764737-01	Methylboronic acid pinacol ester-d3
TRC-E932168-250MG	Ethynylboronic Acid MIDA Ester (>90%)
sc-480760	2-Chlorophenylboronic acid MIDA ester
437067-01	5-Thiazole Boronic Acid MIDA Ester
SPC54388-01	(Tetrahydro-furan-3-yl) methylboronic acid pinacol ester