AG0022U9

181365-26-4 | 1H-Indole-1-carboxylic acid, 3-borono-, 1-(1,1-dimethylethyl) ester

AG0022U9

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CAS Number	181365-26-4
Catalog Number	AG0022U9(AGN-PC-0LOWAW)
Chemical Name	1H-Indole-1-carboxylic acid, 3-borono-, 1-(1,1-dimethylethyl) ester
IUPAC Name	[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]boronic acid
InChI	InChI=1S/C13H16BNO4/c1-13(2,3)19-12(16)15-8-10(14(17)18)9-6-4-5-7-11(9)15/h4-8,17-18H,1-3H3
InChI Key	UAGJZZDMFOTJRN-UHFFFAOYSA-N
MDL Number	MFCD06656257
Molecular Formula	C13H16BNO4
Molecular Weight	261.0814
SMILES	C(C)(C)(C)OC(=O)N1C=C(C2=CC=CC=C12)B(O)O
Synonyms	181365-26-4, (1-(tert-Butoxycarbonyl)-1H-indol-3-yl)boronic acid, 1-Boc-indole-3-boronic Acid, 1-(tert-Butoxycarbonyl)Indole-3-boronic acid, 1-(TERT-BUTOXYCARBONYL)-1H-INDOL-3-YLBORONIC ACID, 1H-INDOLE-1-CARBOXYLIC ACID, 3-BORONO-, 1-(1,1-DIMETHYLETHYL) ESTER, [1-(tert-butoxycarbonyl)-1H-indol-3-yl]boronic acid, AC1NR1SP, 1-Boc-indole-3-boronicAcid, SCHEMBL966206, CTK8E1656, KS-00000APP, 1-BOC-indole-3-yl-boronic acid, UAGJZZDMFOTJRN-UHFFFAOYSA-N, [1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]boronic Acid, BBL102727, MFCD06656257, STL556533, AKOS004116600, ZINC169746931, AB25475, AM80910, CS-W003297, TRA0017437, AK-82717, AS-17936, BC001115, QC-11576, SY007059, AB0048000, ST2414064, TC-306700, 1-(t-butyloxycarbonyl)-3-indoleboronic acid, 4CH-000368, V3913, (1-tert-Butoxycarbonylindol-3-yl)boronic acid, K-5538, MFCD06656257 (95+%), 1-(TERT-BUTOXYCARBONYL)INDOLE-3-BORONICACID, 1-(tert-Butoxycarbonyl)-3-(dihydroxyboryl)-1H-indole, {1-[(tert-butoxy)carbonyl]-1H-indol-3-yl}boronic acid, N-BOC-Indole-3-boronic acid, C13H16BNO4, ACN-032694, CID5233010, 445310-01-0, 5805-53-8, 741253-05-4,

Complexity	342
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	261.117g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	261.084g/mol
Monoisotopic Mass	261.117g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	71.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number