2-Cyanophenylboronic Acid Mida Ester

CAT: 0127-OR1010416-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1010416-01Size:250 mg

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CAS Number

1257739-16-4

MDL Number

MFCD11215222

Purity

99%

Smiles

B1(OC(=O)CN(CC(=O)O1)C)C2=CC(=CC=C2)C#N

Chemical Information

2-(6-Methyl-4,8-dioxo-1,3,6,2-dioxazaborocan-2-yl)benzonitrile

CAS Number	1257739-16-4
PubChem CID	71310576
IUPAC Name	2-(6-methyl-4,8-dioxo-1,3,6,2-dioxazaborocan-2-yl)benzonitrile
Molecular Formula	C12H11BN2O4
Molecular Weight	258.04
Topological Polar Surface Area	79.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	1
Heavy Atom Count	19
Formal Charge	0
Complexity	399

SMILES

B1(OC(=O)CN(CC(=O)O1)C)C2=CC=CC=C2C#N

InChI

InChI=1S/C12H11BN2O4/c1-15-7-11(16)18-13(19-12(17)8-15)10-5-3-2-4-9(10)6-14/h2-5H,7-8H2,1H3

InChIKey

RBAKTQMELMUSRQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1257739-16-4

CID: 71310576

Formula: C12H11BN2O4

MW: 258.04

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	258.04
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	1
Exact Mass	258.0811870
Monoisotopic Mass	258.0811870
Topological Polar Surface Area	79.6 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	399
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
OR1010966-01	3-Cyanophenylboronic Acid Mida Ester
OR1010319-01	2-Benzofuranylboronic Acid Mida Ester
OR1012748-01	Cyclopropylboronic Acid Mida Ester
OR1014651-01	Phenylboronic Acid Mida Ester
OR938746-01	Methylboronic acid mida ester
OR361433-01	2-Methyl-5-cyanophenylboronic acid, pinacol ester
PC1010256	3-Fluorophenylboronic acid mida ester
OR471571-01	2-Chloro-4-cyanophenylboronic acid Pinacol Ester
OR1076841-01	3-Bromophenylboronic Acid Mida Ester
OR1006620-01	5-Bromo-2-thiophenylboronic acid mida ester

Catalog	Name
214360-47-1-01	2-Cyanophenylboronic acid, neopentyl ester
sc-480760	2-Chlorophenylboronic acid MIDA ester
214360-48-2-01	2-CYANOPHENYLBORONIC ACID, PINACOL ESTER
SEA31184-01	Cyclopentylboronic acid MIDA ester
FV159926-01	Vinylboronic acid MIDA ester
abx181047-01	2-Cyanophenylboronic Acid Neopentyl Ester
sc-225329	2-Cyanophenylboronic acid pinacol ester
EUB63753-01	Ethynylboronic acid mida ester
sc-480694	Phenylboronic acid MIDA ester
1104636-68-1-01	Trans-2-Bromovinylboronic acid MIDA ester