Home Halogens 7-chloro-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid hydrochloride

7-chloro-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid hydrochloride

CAS No.:
1955554-99-0
Catalog Number:
AG01C5MW
Molecular Formula:
C10H11Cl2NO2
Molecular Weight:
248.1058
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Product Description
Catalog Number:
AG01C5MW
Chemical Name:
7-chloro-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid hydrochloride
CAS Number:
1955554-99-0
Molecular Formula:
C10H11Cl2NO2
Molecular Weight:
248.1058
MDL Number:
MFCD29991434
IUPAC Name:
7-chloro-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid;hydrochloride
InChI:
InChI=1S/C10H10ClNO2.ClH/c11-7-1-2-8-6(3-7)4-12-5-9(8)10(13)14;/h1-3,9,12H,4-5H2,(H,13,14);1H
InChI Key:
COJWAIIIPKODAL-UHFFFAOYSA-N
SMILES:
OC(=O)C1CNCc2c1ccc(c2)Cl.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:
247.017g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
248.103g/mol
Monoisotopic Mass:
247.017g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties