Methyl 5-Bromo-1,2,3,4-tetrahydroisoquinoline-3-carboxylate - CAS 1219170-24-7

Name: Methyl 5-Bromo-1,2,3,4-tetrahydroisoquinoline-3-carboxylate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB005297
Product Name:	Methyl 5-Bromo-1,2,3,4-tetrahydroisoquinoline-3-carboxylate
CAS:	1219170-24-7
Synonyms:	5-bromo-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid methyl ester; methyl 5-bromo-1,2,3,4-tetrahydroisoquinoline-3-carboxylate

Technical Data

IUPAC Name:	methyl 5-bromo-1,2,3,4-tetrahydroisoquinoline-3-carboxylate
Description:	Methyl 5-Bromo-1,2,3,4-tetrahydroisoquinoline-3-carboxylate (CAS# 1219170-24-7 ) is a useful research chemical.
Molecular Weight:	270.12
Molecular Formula:	C11H12BrNO2
Canonical SMILES:	COC(=O)C1CC2=C(CN1)C=CC=C2Br
InChI:	InChI=1S/C11H12BrNO2/c1-15-11(14)10-5-8-7(6-13-10)3-2-4-9(8)12/h2-4,10,13H,5-6H2,1H3
InChI Key:	FCAFKZZXSROWTA-UHFFFAOYSA-N
Storage:	Keep in dark place, Sealed in dry, 2-8 °C
LogP:	1.96520

Publication Number	Title	Priority Date
AU-2010311321-A1	Novel oxime derivatives and their use as allosteric modulators of metabotropic glutamate receptors	20091030
AU-2010311321-B2	Novel oxime derivatives and their use as allosteric modulators of metabotropic glutamate receptors	20091030
CA-2779073-A1	Novel oxime derivatives and their use as allosteric modulators of metabotropic glutamate receptors	20091030
CN-102812014-B	The purposes of novel 9 oxime derivate and the allosteric modulators as metabotropic glutamate receptor thereof	20091030
EP-2493871-A1	Novel oxime derivatives and their use as allosteric modulators of metabotropic glutamate receptors	20091030

Complexity:	247
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	269.00514
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	269.00514
Rotatable Bond Count:	2
Topological Polar Surface Area:	38.3
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	2