AG006NKJ

913835-67-3 | 1-BOC-6-cyanoindole-2-boronic acid

AG006NKJ

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CAS Number	913835-67-3
Catalog Number	AG006NKJ(AGN-PC-07137T)
Chemical Name	1-BOC-6-cyanoindole-2-boronic acid
IUPAC Name	[6-cyano-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid
InChI	InChI=1S/C14H15BN2O4/c1-14(2,3)21-13(18)17-11-6-9(8-16)4-5-10(11)7-12(17)15(19)20/h4-7,19-20H,1-3H3
InChI Key	CZEBTZMIQZVUSE-UHFFFAOYSA-N
MDL Number	MFCD08436056
Molecular Formula	C14H15BN2O4
Molecular Weight	286.0909
SMILES	N#CC1=CC2=C(C=C1)C=C(B(O)O)N2C(OC(C)(C)C)=O
Synonyms	913835-67-3, (1-(tert-Butoxycarbonyl)-6-cyano-1H-indol-2-yl)boronic acid, 1-BOC-6-CYANOINDOLE-2-BORONIC ACID, 1-(tert-Butoxycarbonyl)-6-cyano-1H-indole-2-boronic acid, MFCD08436056, 1-tert-Butoxycarbonyl-6-cyanoindole-2-boronic acid, 6-Cyano-1H-indole-2-boronic acid, N-BOC protected, J-503654, [1-(tert-Butoxycarbonyl)-6-cyano-1H-indol-2-yl]boronic acid, ACMC-209r9t, SCHEMBL14784326, CTK5G9456, DTXSID20657156, ZX-AT001436, ANW-39615, OR3324, AKOS015893118, ZINC169745215, PS-9542, RP29939, RTX-011536, AK-91630, AX8163661, FT-0687769, ST24026053, V9021, A-3808, 1-Boc-6-cyano-2-indoleboronic acid, AldrichCPR, 6-cyano-1H-indol-2-ylboronic acid, N-boc protected, I04-1905, 1-(tert-butoxycarbonyl)-6-cyanoindol-2-ylboronic acid, 1-(tert-Butoxycarbonyl)-2-(dihydroxyboryl)-1H-indole-6-carbonitrile, 1-(TERT-BUTOXYCARBONYL)-6-CYANO-1H-INDOL-2-YLBORONIC ACID, 1H-Indole-1-carboxylicacid,2-borono-6-cyano-,1-(1,1-dimethylethyl)ester(9ci), C14H15BN2O4, (1-(tert-Butoxycarbonyl)-6-cyano-1H-indol-2-yl)boronicacid, [6-cyano-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid, 1H-Indole-1-carboxylic acid, 2-borono-6-cyano-, 1-(1,1-dimethylethyl) ester (9CI),

Complexity	454
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	286.112g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	286.094g/mol
Monoisotopic Mass	286.112g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	95.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H319-H315-H302-H335
Packing Group
Precautionary statements	P261-P304+P340-P405-P280-P305+P351+P338
UN Code

Certificate of Analysis

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