AG00D7ZW

475102-13-7 | 5-Bromo-1-(tert-butoxycarbonyl)-1H-indol-2-ylboronic acid

AG00D7ZW

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CAS Number	475102-13-7
Catalog Number	AG00D7ZW(AGN-PC-0KL721)
Chemical Name	5-Bromo-1-(tert-butoxycarbonyl)-1H-indol-2-ylboronic acid
IUPAC Name	[5-bromo-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid
InChI	InChI=1S/C13H15BBrNO4/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	RBYTXZMVOGZESQ-UHFFFAOYSA-N
MDL Number	MFCD03701683
Molecular Formula	C13H15BBrNO4
Molecular Weight	339.9775
SMILES	C(=O)(OC(C)(C)C)N1C(=CC2=CC(=CC=C12)Br)B(O)O
Synonyms	475102-13-7, (5-Bromo-1-(tert-butoxycarbonyl)-1H-indol-2-yl)boronic acid, 5-Bromo-1-(tert-butoxycarbonyl)-1H-indol-2-ylboronic acid, 1-BOC-5-bromoindole-2-boronic acid, MFCD03701683, (N-Boc-5-bromo-2-indolyl)boronic acid, 5-Bromo-N-Boc-indole-2-boronic acid, 1-BOC-5-BROMO-1H-INDOLE-2-BORONIC ACID, [5-Bromo-1-(tert-butoxycarbonyl)-1H-indol-2-yl]boronic acid, zlchem 801, PubChem5301, AC1MDRQB, ACMC-1AO86, KSC496I5J, SCHEMBL7921587, CTK3J6454, DTXSID40383344, ZLD0260, ACT06134, KS-000010IQ, ZX-AT001029, N-Boc-5-bromoindole-2-boronic acid, [5-bromo-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic Acid, ANW-30536, AKOS004116257, N-BOC -5-Bromoindole-2-boronic acid, ZINC169743813, AB15799, AM86990, B1805G1, CB-3262, MCULE-8731923074, OR14252, PS-9690, RP07649, RTC-068135, TRA0024876, AK161695, BC000939, AX8014716, DB-000486, TC-068135, CS-0002263, FT-0644717, ST24034797, 5-BROMO-N-(BOC)INDOLE-2-BORONIC ACID, A-3796, F10102, N - Boc - 5 - bromoindole - 2 - boronic acid, 5-Bromo-1H-indole-2-boronic acid, N-BOC protected, I10-0670, J-517175, 5-bromo-1-(tert-butoxycarbonyl)indol-2-ylboronic acid, 5-BROMO-1-T-BUTOXYCARBONYLINDOLE-2-BORONIC ACID, 5-Bromo-1-tert-butoxycarbonyl-1H-indole-2-boronic acid, [5-Bromo-1-(tert-butoxycarbonyl)-1H-indole-2-yl]boronic acid, 5-Bromo-1-(tert-butoxycarbonyl)-1H-indol-2-yl boronic acid, {5-bromo-1-[(tert-butoxy)carbonyl]-1H-indol-2-yl}boronic acid, 5-BROMO-1-(TERT-BUTOXYCARBONYL)-1H-INDOLE-2-BORONIC ACID, Benzimidazole-2-boronic acid, 5-Bromo-N-(butoxycarbonyl)indole-2-boronic acid, (3-Bromo-5-methoxyphenyl)boronic acid, CID2794714, 5-Bromo-1- -1H-indol-2-ylboronicacid, 1H-INDOLE-1-CARBOXYLIC ACID, 2-BORONO-5-BROMO-, 1-(1,1-DIMETHYLETHYL) ESTER, 1H-Indole-1-carboxylic acid, 2-borono-5-bromo-, 1-(1,1-dimethylethyl) ester (9CI), 849062-12-0,

Complexity	374
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	339.028g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	339.98g/mol
Monoisotopic Mass	339.028g/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