AG00C7IX

348640-11-9 | 3-Bromo-5-methoxyindole-1-carboxylic acid tert-butyl ester

AG00C7IX

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CAS Number	348640-11-9
Catalog Number	AG00C7IX(AGN-PC-03RW4Q)
Chemical Name	3-Bromo-5-methoxyindole-1-carboxylic acid tert-butyl ester
IUPAC Name	tert-butyl 3-bromo-5-methoxyindole-1-carboxylate
InChI	InChI=1S/C14H16BrNO3/c1-14(2,3)19-13(17)16-8-11(15)10-7-9(18-4)5-6-12(10)16/h5-8H,1-4H3
InChI Key	DCTZDUWRIAYEIF-UHFFFAOYSA-N
MDL Number	MFCD05864762
Molecular Formula	C14H16BrNO3
Molecular Weight	326.1857
SMILES	C(=O)(OC(C)(C)C)[N]2C1=CC=C(C=C1C(=C2)Br)OC
Synonyms	348640-11-9, 1-Boc-3-Bromo-5-methoxyindole, tert-butyl 3-bromo-5-methoxy-1H-indole-1-carboxylate, 3-BROMO-5-METHOXYINDOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER, tert-butyl 3-bromo-5-methoxyindole-1-carboxylate, AK-17203, 3-Bromo-5-methoxyindole, N-BOC protected, SCHEMBL1357445, CTK4H3177, DTXSID30625962, DCTZDUWRIAYEIF-UHFFFAOYSA-N, 3-BROMO-5-METHOXYINDOLE-1-CARBOXYLICACIDTERT-BUTYLESTER, ZINC2563778, ZX-AT001517, ANW-52230, MFCD05864762, OR1712, RW3401, AKOS015836931, QC-2232, RTR-014407, ACM348640119, AJ-40890, AS-30556, BR-17203, CJ-09635, EN001856, AB0024386, AX8085215, DB-006376, ST2408665, TR-014407, 4CH-015503, FT-0080942, FT-0650994, W5652, A20506, S-2577, I10-0770, 3-Bromo-5-methoxyindole-1-carboxylic acid tert-butylester, 3-bromo-5-methoxy-indole-1-carboxylic acid tert-butyl ester, 3-Bromo-5-methoxy-indole-1-carboxylic acid, tert-butyl ester, 1H-Indole-1-carboxylic acid, 3-bromo-5-methoxy-, 1,1-dimethylethyl ester, 1H-Indole-1-carboxylicacid, 3-bromo-5-methoxy-, 1,1-dimethylethyl ester, C14H16BrNO3,

Complexity	342
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	325.031g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	326.19g/mol
Monoisotopic Mass	325.031g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	40.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.9

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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