AG005T7N

775305-12-9 | 1-Boc-3-Bromo-2-methylindole

AG005T7N

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CAS Number	775305-12-9
Catalog Number	AG005T7N(AGN-PC-05W62A)
Chemical Name	1-Boc-3-Bromo-2-methylindole
IUPAC Name	tert-butyl 3-bromo-2-methylindole-1-carboxylate
InChI	InChI=1S/C14H16BrNO2/c1-9-12(15)10-7-5-6-8-11(10)16(9)13(17)18-14(2,3)4/h5-8H,1-4H3
InChI Key	RUAYZSFSPSZYHI-UHFFFAOYSA-N
MDL Number	MFCD05864780
Molecular Formula	C14H16BrNO2
Molecular Weight	310.1863
SMILES	CC(N1C(OC(C)(C)C)=O)=C(Br)C2=C1C=CC=C2
Synonyms	775305-12-9, 1-Boc-3-Bromo-2-methylindole, tert-Butyl 3-bromo-2-methyl-1H-indole-1-carboxylate, 3-BROMO-2-METHYLINDOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER, AK-17221, 3-Bromo-2-methylindole, N-BOC protected, SCHEMBL716282, CTK5E4603, KS-00002AOO, DTXSID20654342, RUAYZSFSPSZYHI-UHFFFAOYSA-N, 3-BROMO-2-METHYLINDOLE-1-CARBOXYLICACIDTERT-BUTYLESTER, ZINC2563796, ZX-AT002647, ANW-60065, MFCD05864780, OR1732, AKOS015898470, FCH1624266, PS-7087, SB15310, AJ-40902, AX8084972, DB-001543, RT-008596, FT-0740310, V7731, 3-Bromo-2-methyl-1H-indole, N-BOC protected, tert-butyl 3-bromo-2-methylindole-1-carboxylate, I10-0777, 1-(tert-Butoxycarbonyl)-3-bromo-2-methyl-1H-indole, 1H-Indole-1-carboxylicacid, 3-bromo-2-methyl-, 1,1-dimethylethyl ester, C14H16BrNO2,

Complexity	326
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	309.036g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	310.191g/mol
Monoisotopic Mass	309.036g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	31.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H317
Packing Group
Precautionary statements	P280
UN Code

Certificate of Analysis

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