AG00D7ZP

475102-11-5 | 4-Chloro-N-(BOC)-indole-2-boronic acid

AG00D7ZP

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CAS Number	475102-11-5
Catalog Number	AG00D7ZP(AGN-PC-0NES1P)
Chemical Name	4-Chloro-N-(BOC)-indole-2-boronic acid
IUPAC Name	[4-chloro-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid
InChI	InChI=1S/C13H15BClNO4/c1-13(2,3)20-12(17)16-10-6-4-5-9(15)8(10)7-11(16)14(18)19/h4-7,18-19H,1-3H3
InChI Key	HUWASNXIUPJIJH-UHFFFAOYSA-N
MDL Number	MFCD04114582
Molecular Formula	C13H15BClNO4
Molecular Weight	295.5265
SMILES	ClC1=CC=CC2=C1C=C(B(O)O)N2C(OC(C)(C)C)=O
Synonyms	475102-11-5, 4-Chloro-N-(Boc)-indole-2-boronic acid, (1-(tert-Butoxycarbonyl)-4-chloro-1H-indol-2-yl)boronic acid, N-Boc-4-Chloro-2-indolylboronic acid, 1-BOC-4-CHLORO-1H-INDOLE-2-BORONIC ACID, 1-BOC-4-chloroindole-2-boronic acid, 1-(tert-butoxycarbonyl)-4-chloro-1H-indol-2-ylboronic acid, 4-Chloroindole-2-boronic acid, N-BOC protected, {1-[(tert-butoxy)carbonyl]-4-chloro-1H-indol-2-yl}boronic acid, MFCD04114582, [1-(tert-Butoxycarbonyl)-4-chloro-1H-indol-2-yl]boronic acid, ACMC-209k9k, SCHEMBL599783, CTK4J0052, DTXSID10452758, HUWASNXIUPJIJH-UHFFFAOYSA-N, ANW-30534, AKOS015841421, ZINC169743857, AB18603, C2430G1, CB-2260, PS-9611, RP07650, RTR-038829, TRA0096810, VB10497, WT82531, SC-53269, AB0041428, ST2402085, TR-038829, FT-0644716, Y9182, A15584, J-515166, 4-chloro-N-(Boc)-indole-2-boronic acid, AldrichCPR, 1-(tert-butoxycarbonyl)-4-chloroindol-2-ylboronic acid, 4 - Chloro - N - (Boc) - indole - 2 - boronic acid, [4-Chloro-1-(tert-butoxycarbonyl)-1H-indole-2-yl]boronic acid, 1-(tert-Butoxycarbonyl)-4-chloro-1H-indol-2-yl-2-boronic acid, 1H-indole-1-carboxylic acid, 2-borono-4-chloro-, 1,1-dimethylethyl ester, 1H-Indole-1-carboxylicacid, 2-borono-4-chloro-,1-(1,1-dimethylethyl) ester, C13H15BClNO4, CID11033775, 4-CHLORO-N- -INDOLE-2-BORONICACID, A-2626, [4-chloro-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic Acid, 1-(tert-butoxycarbonyl)-4-chloro-1H-indol-2-yl-2-boronic acid, 95% - 1G 1g, 1H-Indole-1-carboxylic acid, 2-borono-4-chloro-, 1-(1,1-dimethylethyl) ester (9CI),

Complexity	374
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	295.078g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	295.526g/mol
Monoisotopic Mass	295.078g/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

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