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82771-27-5 | 1-(1,2,3,4-Tetrahydroisoquinolin-7-yl)ethanone hydrochloride
CAS No: 82771-27-5 Catalog No: AG008IJQ MDL No:MFCD20036291
Product Description
Catalog Number:
AG008IJQ
Chemical Name:
1-(1,2,3,4-Tetrahydroisoquinolin-7-yl)ethanone hydrochloride
CAS Number:
82771-27-5
Molecular Formula:
C11H14ClNO
Molecular Weight:
211.6880
MDL Number:
MFCD20036291
IUPAC Name:
1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone;hydrochloride
InChI:
InChI=1S/C11H13NO.ClH/c1-8(13)10-3-2-9-4-5-12-7-11(9)6-10;/h2-3,6,12H,4-5,7H2,1H3;1H
InChI Key:
XXKMOPZYIXRHNB-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccc2c(c1)CNCC2.Cl
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.076g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
211.689g/mol
Monoisotopic Mass:
211.076g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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