AG005R18

676448-17-2 | 1-Boc-4-Bromoindole

AG005R18

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CAS Number	676448-17-2
Catalog Number	AG005R18(AGN-PC-05W4E4)
Chemical Name	1-Boc-4-Bromoindole
IUPAC Name	tert-butyl 4-bromoindole-1-carboxylate
InChI	InChI=1S/C13H14BrNO2/c1-13(2,3)17-12(16)15-8-7-9-10(14)5-4-6-11(9)15/h4-8H,1-3H3
InChI Key	ZGBNKNOAADXGOH-UHFFFAOYSA-N
MDL Number	MFCD04117874
Molecular Formula	C13H14BrNO2
Molecular Weight	296.1598
SMILES	C(C)(C)(C)OC(=O)[N]2C1=CC=CC(=C1C=C2)Br
Synonyms	1-Boc-4-Bromoindole, 676448-17-2, tert-butyl 4-bromo-1H-indole-1-carboxylate, 4-BROMOINDOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER, tert-butyl-4-bromo-1H-indole-1-carboxylate, 4-BROMOINDOLE, N-BOC PROTECTED, tert-butyl 4-bromoindole-1-carboxylate, AK-16401, 1H-Indole-1-carboxylic acid, 4-bromo-, 1,1-dimethylethyl ester, N-Boc-4-bromoindole, PubChem9120, ACMC-209o0d, 4-Bromoindole,N-BOC protected, SCHEMBL1284244, CTK5C6474, DTXSID00654209, ZGBNKNOAADXGOH-UHFFFAOYSA-N, KS-00002AP4, ZINC2529160, ZX-AT004113, ANW-35387, MFCD04117874, OR1655, AKOS015841204, FCH1619929, MB03354, PS-7154, QC-9494, RTC-064454, AJ-38397, AN-27655, BC003416, BR-16401, CJ-09057, SC-06221, 1-(tert-Butoxycarbonyl)-4-bromo-1H-indole, AB0026199, AX8095246, DB-001552, ST2415187, TC-064454, 4-BROMO-1H-INDOLE, N-BOC PROTECTED, 4CH-015839, A9056, AM20050413, FT-0600105, W7807, S-2572, 4-Bromo-indole-1-carboxylic Acid tert-Butyl Ester, 4-bromo-indole-1-carboxylic acid-tert-butyl ester, 448B172, 4-BROMO-1-(TERT-BUTOXYCARBONYL)-1H-INDOLE, I10-0198, 1H-Indole-1-carboxylicacid, 4-bromo-, 1,1-dimethylethyl ester, C13H14BrNO2, 4-BROMOINDOLE-1-CARBOXYLICACIDTERT-BUTYLESTER,

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	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number