Home Carboxys 5-fluoro-1,2,3,4-tetrahydroisoquinoline-8-carboxylic acid hydrochloride

5-fluoro-1,2,3,4-tetrahydroisoquinoline-8-carboxylic acid hydrochloride

CAS No.:
1989671-40-0
Catalog Number:
AG01B6T3
Molecular Formula:
C10H11ClFNO2
Molecular Weight:
231.6512
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Product Description
Catalog Number:
AG01B6T3
Chemical Name:
5-fluoro-1,2,3,4-tetrahydroisoquinoline-8-carboxylic acid hydrochloride
CAS Number:
1989671-40-0
Molecular Formula:
C10H11ClFNO2
Molecular Weight:
231.6512
MDL Number:
MFCD30342934
IUPAC Name:
5-fluoro-1,2,3,4-tetrahydroisoquinoline-8-carboxylic acid;hydrochloride
InChI:
InChI=1S/C10H10FNO2.ClH/c11-9-2-1-7(10(13)14)8-5-12-4-3-6(8)9;/h1-2,12H,3-5H2,(H,13,14);1H
InChI Key:
PYNAMYTXFFCWNR-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c2c1CNCC2)F.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:
231.046g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
231.651g/mol
Monoisotopic Mass:
231.046g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties