AG00BYGI

352359-23-0 | 1-Boc-5-fluoroindole-2-boronic Acid

AG00BYGI

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CAS Number	352359-23-0
Catalog Number	AG00BYGI(AGN-PC-0KKPFB)
Chemical Name	1-Boc-5-fluoroindole-2-boronic Acid
IUPAC Name	[5-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid
InChI	InChI=1S/C13H15BFNO4/c1-13(2,3)20-12(17)16-10-5-4-9(15)6-8(10)7-11(16)14(18)19/h4-7,18-19H,1-3H3
InChI Key	TZHYEXHDCFQZGG-UHFFFAOYSA-N
MDL Number	MFCD04114581
Molecular Formula	C13H15BFNO4
Molecular Weight	279.0719
SMILES	FC1=CC2=C(N(C(OC(C)(C)C)=O)C(B(O)O)=C2)C=C1
Synonyms	352359-23-0, 1-Boc-5-fluoroindole-2-boronic acid, (1-(tert-Butoxycarbonyl)-5-fluoro-1H-indol-2-yl)boronic acid, 1-boc-5-fluoro-1h-indole-2-boronic acid, N-(BOC)-5-fluoroindole-2-boronic acid, 5-fluoroindole-2-boronic acid, n-boc protected, N-Boc-5-fluoroindole-2-boronic acid, 1-(tert-butoxycarbonyl)-5-fluoro-1H-indol-2-ylboronic acid, 1-(tert-Butoxycarbonyl)-5-fluoro-1H-indol-2-yl-2-boronic acid, ACMC-209iei, SCHEMBL594560, AC1MC832, CTK4H3989, DTXSID40376877, TZHYEXHDCFQZGG-UHFFFAOYSA-N, BCP27563, ANW-28120, MFCD04114581, [5-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic Acid, AKOS015841420, ZINC169743860, AB18601, B2336G1, CB-3612, N-Boc-5-fluoro-indole-2-boronic acid, RP06607, RTC-068118, VB10499, 1h-indole-1-carboxylic acid, 2-borono-5-fluoro-, 1-(1,1-dimethylethyl) ester, N-Boc-5-fluoro-indol-2-yl boronic acid, AN-28703, AS-48278, SY023465, TC-068118, CS-0002266, FT-0644489, ST24026051, Y8836, MFCD04114581 (95%), A-3814, 1-Boc-5-fluoroindole-2-boronic acid, AldrichCPR, 359B230, 5-fluoro-1-tert-butoxycarbonylindole-2-boronic acid, I10-0668, J-503651, (1-tert-butoxycarbonyl-5-fluoro-indol-2-yl)boronic acid, 1-(tert-butoxycarbonyl)-5-fluoroindol-2-ylboronic acid, n-tert-butoxycarbonyl-5-fluoro-1h-indole-2-boronic acid, [5-Fluoro-1-(tert-butoxycarbonyl)-1H-indole-2-yl]boronic acid, {1-[(tert-butoxy)carbonyl]-5-fluoro-1H-indol-2-yl}boronic acid, 1H-Indole-1-carboxylicacid, 2-borono-5-fluoro-, 1-(1,1-dimethylethyl) ester, C13H15BFNO4, ACN-032544, CID2763292, A15515,

Complexity	374
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	279.108g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	279.074g/mol
Monoisotopic Mass	279.108g/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-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362-P403+P233-P501
UN Code

Certificate of Analysis

Lot Number