AG002V9R

290331-71-4 | 1H-Indole-1-carboxylic acid, 2-borono-5-methoxy-, 1-(1,1-dimethylethyl) ester

AG002V9R

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CAS Number	290331-71-4
Catalog Number	AG002V9R(AGN-PC-0KL723)
Chemical Name	1H-Indole-1-carboxylic acid, 2-borono-5-methoxy-, 1-(1,1-dimethylethyl) ester
IUPAC Name	[5-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid
InChI	InChI=1S/C14H18BNO5/c1-14(2,3)21-13(17)16-11-6-5-10(20-4)7-9(11)8-12(16)15(18)19/h5-8,18-19H,1-4H3
InChI Key	PZLVPMBCKHDVKT-UHFFFAOYSA-N
MDL Number	MFCD04039006
Molecular Formula	C14H18BNO5
Molecular Weight	291.1074
SMILES	COC1=CC2=C(C=C1)N(C(=O)OC(C)(C)C)C(=C2)B(O)O
Synonyms	290331-71-4, 1-(tert-butoxycarbonyl)-5-methoxy-1H-indol-2-ylboronic acid, N-Boc-5-methoxy-2-indolylboronic acid, 1-BOC-5-METHOXYINDOLE-2-BORONIC ACID, (1-(TERT-BUTOXYCARBONYL)-5-METHOXY-1H-INDOL-2-YL)BORONIC ACID, MFCD04039006, [1-(tert-butoxycarbonyl)-5-methoxy-1h-indol-2-yl]boronic acid, N-Boc-5-methoxyindole-2-boronic acid, AC1MDRQH, PubChem24022, ACMC-1CJOK, SCHEMBL1497620, CTK4G2614, DTXSID60383346, PZLVPMBCKHDVKT-UHFFFAOYSA-N, ANW-26529, [5-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic Acid, AKOS004116258, ZINC169743814, AB17239, AM86838, CB-2262, RTR-012706, N-Boc-5-methoxy-indole-2-boronic acid, AN-29063, AS-38803, SC-86724, DB-018678, FT-0644355, V4947, A-3824, A22960, N-Boc-5-methoxy-2-indolylboronic acid, >=95%, 1-BOC-5-METHOXY-1H-INDOLE-2-BORONIC ACID, 331B714, I10-0666, J-017365, 1-(tert-butoxycarbonyl)-5-methoxy-indole-2-boronic acid, 1-(tert-butoxycarbonyl)-5-methoxyindol-2-ylboronic acid, 1-(tert-butoxycarbonyl)-5-methoxyindole-2-boronic acid, (1-tert-butoxycarbonyl-5-methoxy-indol-2-yl)boronic acid, 1-(TERT-BUTOXYCARBONYL)-5-METHOXY-1H-INDOL-2-YLBOR, 1-(tert butoxy carbonyl) 5-methoxy-1H-indol-2-yl-boronic acid, 1-(tert butoxy carbonyl) 5-methoxy-1H-indol-2yl-boronic acid, 1-(tert-Butoxycarbonyl)-5-methoxy-(1H-indol-2-yl)boronic acid, [5-Methoxy-1-(tert-butoxycarbonyl)-1H-indole-2-yl]boronic acid, {1-[(tert-butoxy)carbonyl]-5-methoxy-1H-indol-2-yl}boronic acid, 1H-INDOLE-1-CARBOXYLIC ACID, 2-BORONO-5-METHOXY-, 1-(1,1-DIMETHYLETHYL) ESTER, 1H-Indole-1-carboxylicacid, 2-borono-5-methoxy-, 1-(1,1-dimethylethyl) ester, C14H18BNO5, N-Boc-5-Methoxyindole-2-boronicacid, CID2794716, 1-TERT-BUTOXYCARBONYL-5-METHOXYINDOLE-2-BORONIC ACID,

Complexity	384
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	291.128g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	291.11g/mol
Monoisotopic Mass	291.128g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	80.9A^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	P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
UN Code

Certificate of Analysis

Lot Number