AG0027WW

201940-08-1 | 2H-Isoindole-2-carboxylic acid, 5-bromo-1,3-dihydro-, 1,1-dimethylethyl ester

AG0027WW

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CAS Number	201940-08-1
Catalog Number	AG0027WW(AGN-PC-00TORN)
Chemical Name	2H-Isoindole-2-carboxylic acid, 5-bromo-1,3-dihydro-, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl 5-bromo-1,3-dihydroisoindole-2-carboxylate
InChI	InChI=1S/C13H16BrNO2/c1-13(2,3)17-12(16)15-7-9-4-5-11(14)6-10(9)8-15/h4-6H,7-8H2,1-3H3
InChI Key	GOKHEUCWNVPUSC-UHFFFAOYSA-N
MDL Number	MFCD09953049
Molecular Formula	C13H16BrNO2
Molecular Weight	298.1756
SMILES	C(=O)(OC(C)(C)C)N1CC2=CC=C(C=C2C1)Br
Synonyms	Tert-Butyl 5-Bromoisoindoline-2-Carboxylate, 201940-08-1, N-BOC-5-BROMOISOINDOLINE, tert-butyl 5-bromo-2,3-dihydro-1H-isoindole-2-carboxylate, tert-butyl 5-bromo-1,3-dihydro-2H-isoindole-2-carboxylate, 2-Boc-5-bromoisoindoline, 2-Boc-5-bromo-isoindoline, 2-N-Boc-5-bromoisoindoline, 3-N-Boc-5-Bromoisoindoline, SCHEMBL330056, SCHEMBL3234042, CTK4E3517, DTXSID60582872, GOKHEUCWNVPUSC-UHFFFAOYSA-N, BCP17630, KS-000002KN, ANW-49802, MFCD09953049, SC3981, ZINC26894157, AKOS015898366, CB-1576, CM10239, CS-W003696, QC-2661, RTX-011167, SB18408, TRA0094486, VI30492, AJ-82778, AK-33987, BR-33987, CJ-17541, DS-12653, SC-32901, SY024402, AB0023246, DB-050752, 4CH-002729, AM20030298, FT-0660722, ST24031832, W4266, S-5200, MFCD09953049 (95+%), I10-0603, 5-Bromoisoindoline-2-carboxylic acid tert-butyl ester, I14-13791, tert-butyl 5-bromo-1,3-dihydroisoindole-2-carboxylate, Z1693222997, Tert-butyl 5-bromo-1,3-dihydro-2H-isoindole-2- carboxylate, 1,1-dimethylethyl 5-bromo-1,3-dihydro-2H-isoindole-2-carboxylate, 5-BROMO-1,3-DIHYDRO-ISOINDOLE-2-CARBOXYLIC ACID TERT-BUTYL ESTER, 2H-Isoindole-2-carboxylic acid, 5-bromo-1,3-dihydro-, 1,1-dimethylethyl ester, C13H16BrNO2, tert-butyl 5-bromoisoindoline-2-carboxylate, 95% - 1G 1g,

Complexity	300
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	297.036g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	298.18g/mol
Monoisotopic Mass	297.036g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	29.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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