AG003E18

143259-56-7 | tert-Butyl 3-bromo-1H-indole-1-carboxylate

AG003E18

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CAS Number	143259-56-7
Catalog Number	AG003E18(AGN-PC-02MES1)
Chemical Name	tert-Butyl 3-bromo-1H-indole-1-carboxylate
IUPAC Name	tert-butyl 3-bromoindole-1-carboxylate
InChI	InChI=1S/C13H14BrNO2/c1-13(2,3)17-12(16)15-8-10(14)9-6-4-5-7-11(9)15/h4-8H,1-3H3
InChI Key	DMNYMGSBBRRGOW-UHFFFAOYSA-N
MDL Number	MFCD05864772
Molecular Formula	C13H14BrNO2
Molecular Weight	296.1598
SMILES	C(C)(C)(C)OC(=O)[N]2C1=CC=CC=C1C(=C2)Br
Synonyms	1-Boc-3-Bromoindole, 143259-56-7, tert-butyl 3-bromo-1h-indole-1-carboxylate, 3-bromoindole-1-carboxylic acid tert-butyl ester, tert-butyl 3-bromoindole-1-carboxylate, 3-bromoindole, n-boc protected, AK-17213, 3-Bromo-indole-1-carboxylic acid tert-Butyl ester, 1H-Indole-1-carboxylic acid, 3-bromo-, 1,1-dimethylethyl ester, PubChem13473, ACMC-1BZZD, SCHEMBL1055676, CTK4C3544, DTXSID10602357, DMNYMGSBBRRGOW-UHFFFAOYSA-N, ACN-S003243, ACT04934, EBD31309, KS-00000DI0, ZINC2563788, ZX-AT002470, ANW-20762, MFCD05864772, OR1723, AKOS015838295, AC-7383, AN-9068, CB-1695, CM10606, CS-W003256, FCH1620140, HCH0406823, MB03667, PS-7153, QC-7818, RTR-005520, TRA0050755, AJ-40897, BC003754, BR-17213, CJ-09637, SC-04846, SY005985, t-butyl 3-bromo-1h-indole-1-carboxylate, tert-butyl 3-bromanylindole-1-carboxylate, AB0005147, AB1000643, AX8027521, DB-011841, ST2419936, TR-005520, 4CH-000369, FT-0630095, W3118, 1-(tert-Butyloxycarbonyl)-3-bromo-1H-indole, A-1876, Z-8059, 3-bromo-1-indolecarboxylic acid tert-butyl ester, MFCD05864772 (97+%), A808046, I10-0422, J-007783, 1H-Indole-1-carboxylicacid, 3-bromo-, 1,1-dimethylethyl ester, null, C13H14BrNO2,

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

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