AG009BG2

1212021-11-8 | 3-Chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile

AG009BG2

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CAS Number	1212021-11-8
Catalog Number	AG009BG2(AGN-PC-09PZJX)
Chemical Name	3-Chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
IUPAC Name	3-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
InChI	InChI=1S/C13H15BClNO2/c1-12(2)13(3,4)18-14(17-12)10-5-9(8-16)6-11(15)7-10/h5-7H,1-4H3
InChI Key	AAZQJHZPPYLORA-UHFFFAOYSA-N
MDL Number	MFCD16659095
Molecular Formula	C13H15BClNO2
Molecular Weight	263.5277
SMILES	N#CC1=CC(B2OC(C)(C)C(C)(C)O2)=CC(Cl)=C1
Synonyms	1212021-11-8, 3-CHLORO-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZONITRILE, 3-CHLORO-5-CYANOPHENYLBORONIC ACID, PINACOL ESTER, AAZQJHZPPYLORA-UHFFFAOYSA-N, SCHEMBL28779, CTK8B6296, DTXSID70682231, ANW-53242, MFCD16659095, RW3630, AKOS015999637, ZINC169746591, FCH2772349, MB14976, QC-1904, RL00912, AK-93959, OR360918, AB0047331, AX8231322, TR-034501, ST24022843, A-5423, J-512255, 3-chloro-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)benzonitrile, 3-Chloro-5-cyanophenylboronic acid pinacol ester,

Complexity	360
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	263.088g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	263.528g/mol
Monoisotopic Mass	263.088g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	42.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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