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87992-89-0 | Phosphonic acid, (1,2,3,4-tetrahydro-1-isoquinolinyl)-, diethyl ester
CAS No: 87992-89-0 Catalog No: AG004L5Q MDL No:
Product Description
Catalog Number:
AG004L5Q
Chemical Name:
Phosphonic acid, (1,2,3,4-tetrahydro-1-isoquinolinyl)-, diethyl ester
CAS Number:
87992-89-0
Molecular Formula:
C13H20NO3P
Molecular Weight:
269.2766
IUPAC Name:
1-diethoxyphosphoryl-1,2,3,4-tetrahydroisoquinoline
InChI:
InChI=1S/C13H20NO3P/c1-3-16-18(15,17-4-2)13-12-8-6-5-7-11(12)9-10-14-13/h5-8,13-14H,3-4,9-10H2,1-2H3
InChI Key:
JUNUBMJZRHNLDP-UHFFFAOYSA-N
SMILES:
CCOP(=O)(C1NCCc2c1cccc2)OCC
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.118g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
269.281g/mol
Monoisotopic Mass:
269.118g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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