AG003JCL

1073354-61-6 | 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-3-carbonitrile

AG003JCL

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CAS Number	1073354-61-6
Catalog Number	AG003JCL(AGN-PC-0WBQQ2)
Chemical Name	4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-3-carbonitrile
IUPAC Name	4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-3-carbonitrile
InChI	InChI=1S/C11H14BNO2S/c1-10(2)11(3,4)15-12(14-10)9-7-16-6-8(9)5-13/h6-7H,1-4H3
InChI Key	HXVZWNQWHLJIAI-UHFFFAOYSA-N
MDL Number	MFCD08669563
Molecular Formula	C11H14BNO2S
Molecular Weight	235.1104
SMILES	N#CC1=CSC=C1B2OC(C)(C)C(C)(C)O2
Synonyms	1073354-61-6, 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-3-carbonitrile, 3-CYANOTHIOPHENE-4-BORONIC ACID PINACOL ESTER, SCHEMBL2180435, DTXSID00674664, MFCD08669563, AKOS015949984, ZINC169904164, AB45915, BOR0001252, FCH2820259, QC-6749, OR361050, AX8251634, 3-Cyanothiophene-4-boronic acid, pinacol ester, A-4829, J-001844,

Complexity	320
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	235.084g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	235.108g/mol
Monoisotopic Mass	235.084g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	70.5A^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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