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1638668-15-1 | 3-Isoquinolinecarboxylic acid, 5-bromo-1,2,3,4-tetrahydro-, hydrochloride (1:1), (3R)-
CAS No: 1638668-15-1 Catalog No: AG001UGU MDL No:
Product Description
Catalog Number:
AG001UGU
Chemical Name:
3-Isoquinolinecarboxylic acid, 5-bromo-1,2,3,4-tetrahydro-, hydrochloride (1:1), (3R)-
CAS Number:
1638668-15-1
Molecular Formula:
C10H11BrClNO2
Molecular Weight:
292.5568
IUPAC Name:
(3R)-5-bromo-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid;hydrochloride
InChI:
InChI=1S/C10H10BrNO2.ClH/c11-8-3-1-2-6-5-12-9(10(13)14)4-7(6)8;/h1-3,9,12H,4-5H2,(H,13,14);1H/t9-;/m1./s1
InChI Key:
QNSTWZBFWXFFJP-SBSPUUFOSA-N
SMILES:
OC(=O)[C@@H]1NCc2c(C1)c(Br)ccc2.Cl
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
290.966g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
292.557g/mol
Monoisotopic Mass:
290.966g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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