AG0036B8

874290-89-8 | 3-CYANOPYRIDINE-4-BORONIC ACID

AG0036B8

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CAS Number	874290-89-8
Catalog Number	AG0036B8(AGN-PC-078JT2)
Chemical Name	3-CYANOPYRIDINE-4-BORONIC ACID
IUPAC Name	(3-cyanopyridin-4-yl)boronic acid
InChI	InChI=1S/C6H5BN2O2/c8-3-5-4-9-2-1-6(5)7(10)11/h1-2,4,10-11H
InChI Key	BIFLCXDWWOPWRD-UHFFFAOYSA-N
MDL Number	MFCD09037480
Molecular Formula	C6H5BN2O2
Molecular Weight	147.9271
SMILES	C(#N)C=1C=NC=CC1B(O)O
Synonyms	874290-89-8, (3-Cyanopyridin-4-yl)boronic acid, 3-CYANOPYRIDINE-4-BORONIC ACID, 3-cyanopyridin-4-ylboronic acid, (3-cyano-4-pyridyl)boronic acid, Boronic acid, (3-cyano-4-pyridinyl)-, AK-40453, PubChem23550, 3-Cyanopyridine-4-boronicacid, SCHEMBL4359777, CHEMBL3236587, CTK5F8440, DTXSID40660622, (3-cyano-4-pyridinyl)boronic acid, KS-00000HW9, MFCD09037480, ZINC169794690, AB49468, FCH1179463, QC-6532, Boronic acid,B-(3-cyano-4-pyridinyl)-, AN-26763, AS-55552, SC-17796, Boronic acid, B-(3-cyano-4-pyridinyl)-, 3-cyanopyridine-4-boronic acid, AldrichCPR, DB-010574, FT-0719502, B-(3-CYANO-4-PYRIDINYL)-BORONIC ACID, D-5114, 290C898,

Complexity	177
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	148.044g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	147.928g/mol
Monoisotopic Mass	148.044g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	77.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
UN Code

Certificate of Analysis

Lot Number