AG003MI3

215184-78-4 | 5-BROMO-3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID TERT-BUTYL ESTER

AG003MI3

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CAS Number	215184-78-4
Catalog Number	AG003MI3(AGN-PC-01U7R6)
Chemical Name	5-BROMO-3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID TERT-BUTYL ESTER
IUPAC Name	tert-butyl 5-bromo-3,4-dihydro-1H-isoquinoline-2-carboxylate
InChI	InChI=1S/C14H18BrNO2/c1-14(2,3)18-13(17)16-8-7-11-10(9-16)5-4-6-12(11)15/h4-6H,7-9H2,1-3H3
InChI Key	YSAAGRAKROVFRY-UHFFFAOYSA-N
MDL Number	MFCD08752227
Molecular Formula	C14H18BrNO2
Molecular Weight	312.2022
SMILES	BrC1=C2C(=CC=C1)CN(CC2)C(=O)OC(C)(C)C
Synonyms	215184-78-4, tert-Butyl 5-bromo-3,4-dihydroisoquinoline-2(1H)-carboxylate, 2-Boc-5-bromo-1,2,3,4-tetrahydroisoquinoline, 5-BROMO-3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID TERT-BUTYL ESTER, tert-butyl 5-bromo-1,2,3,4-tetrahydroisoquinoline-2-carboxylate, tert-butyl 5-bromo-3,4-dihydro-1H-isoquinoline-2-carboxylate, SCHEMBL2119725, CTK4E7028, KS-00000DJZ, DTXSID80592736, YSAAGRAKROVFRY-UHFFFAOYSA-N, ANW-49645, MFCD08752227, ZINC21148112, AKOS001836528, CS-W018585, MCULE-4149498597, SB18415, AJ-78081, AK-31736, AS-18209, BR-31736, SC-87763, SY021157, AB0023415, DB-066546, ST2413924, TC-138390, 4CH-006575, FT-0746106, W4464, MFCD08752227 (95%), A26730, S-5244, 5-BROMO-3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC A, t-butyl 5-bromo-3,4-dihydroisoquinoline-2(1H)-carboxylate, N-tert-butoxycarbonyl-5-bromo-1,2,3,4-tetrahydroisoquinoline, tert-butyl 5-bromo-3,4-dihydroisoquinoline- 2(1H)-carboxylate, 1,1-dimethylethyl 5-bromo-3,4-dihydro-2(1H)-isoquinolinecarboxylate, 2(1H)-Isoquinolinecarboxylicacid, 5-bromo-3,4-dihydro-, 1,1-dimethylethyl ester, C14H18BrNO2, tert-Butyl5-bromo-3,4-dihydroisoquinoline-2(1H)-carboxylate,

Complexity	313
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	311.052g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	312.207g/mol
Monoisotopic Mass	311.052g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	29.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
UN Code

Certificate of Analysis

Lot Number