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115514-84-6 | 7-Isoquinolinol, 6-chloro-1,2,3,4-tetrahydro-1-phenyl-2-propyl-, (S)- (9CI)
CAS No: 115514-84-6 Catalog No: AG000G3V MDL No:
Product Description
Catalog Number:
AG000G3V
Chemical Name:
7-Isoquinolinol, 6-chloro-1,2,3,4-tetrahydro-1-phenyl-2-propyl-, (S)- (9CI)
CAS Number:
115514-84-6
Molecular Formula:
C18H20ClNO
Molecular Weight:
301.8105
IUPAC Name:
6-chloro-1-phenyl-2-propyl-3,4-dihydro-1H-isoquinolin-7-ol
InChI:
InChI=1S/C18H20ClNO/c1-2-9-20-10-8-14-11-16(19)17(21)12-15(14)18(20)13-6-4-3-5-7-13/h3-7,11-12,18,21H,2,8-10H2,1H3
InChI Key:
UCVFZVSEYSSSHP-UHFFFAOYSA-N
SMILES:
CCCN1CCc2c([C@@H]1c1ccccc1)cc(c(c2)Cl)O
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.123g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
301.814g/mol
Monoisotopic Mass:
301.123g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
23.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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