6-chloro-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid


Chemical Name: 6-chloro-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
CAS Number: 871730-33-5
Product Number: AG004T9E(AGN-PC-07CN5R)
Synonyms:
MDL No:
Molecular Formula: C15H18ClNO4
Molecular Weight: 311.7607

Identification/Properties


Computed Properties
Molecular Weight:
311.762g/mol
XLogP3:
3.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
311.092g/mol
Monoisotopic Mass:
311.092g/mol
Topological Polar Surface Area:
66.8A^2
Heavy Atom Count:
21
Formal Charge:
0
Complexity:
420
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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