AG0023OS

182344-70-3 | 1-BOC-5-bromoindole

AG0023OS

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CAS Number	182344-70-3
Catalog Number	AG0023OS(AGN-PC-0KK2YY)
Chemical Name	1-BOC-5-bromoindole
IUPAC Name	tert-butyl 5-bromoindole-1-carboxylate
InChI	InChI=1S/C13H14BrNO2/c1-13(2,3)17-12(16)15-7-6-9-8-10(14)4-5-11(9)15/h4-8H,1-3H3
InChI Key	PBWDRTGTQIXVBR-UHFFFAOYSA-N
MDL Number	MFCD02090067
Molecular Formula	C13H14BrNO2
Molecular Weight	296.1598
SMILES	O=C(N1C=CC2=C1C=CC(Br)=C2)OC(C)(C)C
Synonyms	182344-70-3, N-Boc-5-bromoindole, tert-Butyl 5-Bromo-1H-indole-1-carboxylate, tert-Butyl 5-bromoindole-1-carboxylate, 1-BOC-5-bromoindole, 5-BROMO-1-TERT-BUTOXYCARBONYLINDOLE, AK-61630, 1H-INDOLE-1-CARBOXYLIC ACID, 5-BROMO-, 1,1-DIMETHYLETHYL ESTER, 5-BROMO-INDOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER, tert-butyl 5-bromoindolecarboxylate, PubChem7934, AC1MBNRX, ACMC-1BWJN, Maybridge3_005555, KSC200K5P, N-Boc-5-bromoindole, 97%, SCHEMBL265019, ZINC84398, DTXSID90369512, PBWDRTGTQIXVBR-UHFFFAOYSA-N, 5-BROMO-N-BOC-1H-INDOLE, HMS1446M11, KS-00000H4T, 1-(t-butoxycarbonyl)-5-bromoindole, ANW-23111, CCG-54542, MFCD02090067, SBB054558, AKOS015837005, tert-butyl 5-bromoindol-1-carboxylate, AB10685, CB-1217, FCH1617512, HCH0027213, MCULE-1761277799, QC-7847, RTR-008403, tert-butyl-5-bromoindole-1-carboxylate, TRA0079469, IDI1_016942, tert-butyl 5-bromo-indole-1-carboxylate, ACM182344703, AJ-10674, AN-30531, BC003298, FS000348, OR460023, t-Butyl 5-bromo-1H-indole-1-carboxylate, tert-butyl 5-bromanylindole-1-carboxylate, TS-01076, 1-(tert-Butoxycarbonyl)-5-bromo-1H-indole, AB0042422, AX8152957, tert-butyl 5-bromo-1H-indol-1-carboxylate, TR-008403, FT-0654007, ST24050045, ST50949817, Z0294, B-3148, 5-bromo-1-indolecarboxylic acid tert-butyl ester, A812688, I10-0158, J-011668, SR-01000643634-1, BRD-K64042071-001-01-2, 1-BOC-5-bromoindoline, C13H14BrNO2, N-BOC-5-BROMOINDOLINE, ZINC00084398, CID2728482, tert-Butyl5-bromo-1H-indole-1-carboxylate, 5-BROMO-1-(T-BUTOXYCARBONYL)-1H-INDOLE, 261732-38-1,

Complexity	300
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	295.021g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	296.164g/mol
Monoisotopic Mass	295.021g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	31.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4

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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