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Home > Bromides > 1260637-73-7
1260637-73-7 | 1-Isoquinolinecarboxylic acid, 6-bromo-1,2,3,4-tetrahydro-, hydrochloride (1:1)
CAS No: 1260637-73-7 Catalog No: AG000QWM MDL No:MFCD12913747
Product Description
Catalog Number:
AG000QWM
Chemical Name:
1-Isoquinolinecarboxylic acid, 6-bromo-1,2,3,4-tetrahydro-, hydrochloride (1:1)
CAS Number:
1260637-73-7
Molecular Formula:
C10H11BrClNO2
Molecular Weight:
292.5568
MDL Number:
MFCD12913747
IUPAC Name:
6-bromo-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid;hydrochloride
InChI:
InChI=1S/C10H10BrNO2.ClH/c11-7-1-2-8-6(5-7)3-4-12-9(8)10(13)14;/h1-2,5,9,12H,3-4H2,(H,13,14);1H
InChI Key:
IARLQQJKOKORBN-UHFFFAOYSA-N
SMILES:
OC(=O)C1NCCc2c1ccc(c2)Br.Cl
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
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:
1
Undefined Bond Stereocenter Count:
0
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