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1260640-87-6

1260640-87-6 | 1-Isoquinolinecarboxylic acid, 7-bromo-1,2,3,4-tetrahydro-, hydrochloride (1:1)

CAS No: 1260640-87-6 Catalog No: AG000QXN MDL No:MFCD11506135

Product Description

Catalog Number:
AG000QXN
Chemical Name:
1-Isoquinolinecarboxylic acid, 7-bromo-1,2,3,4-tetrahydro-, hydrochloride (1:1)
CAS Number:
1260640-87-6
Molecular Formula:
C10H11BrClNO2
Molecular Weight:
292.5568
MDL Number:
MFCD11506135
IUPAC Name:
7-bromo-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid;hydrochloride
InChI:
InChI=1S/C10H10BrNO2.ClH/c11-7-2-1-6-3-4-12-9(10(13)14)8(6)5-7;/h1-2,5,9,12H,3-4H2,(H,13,14);1H
InChI Key:
ZUKFUSKNLNJRFG-UHFFFAOYSA-N
SMILES:
OC(=O)C1NCCc2c1cc(Br)cc2.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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