methyl (3R)-2-(2-chloroacetyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate


Chemical Name: methyl (3R)-2-(2-chloroacetyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate
CAS Number: 1008996-86-8
Product Number: AG00H9DG(AGN-PC-0KGTGP)
Synonyms:
MDL No: MFCD06376743
Molecular Formula: C13H14ClNO3
Molecular Weight: 267.7082

Identification/Properties


Computed Properties
Molecular Weight:
267.709g/mol
XLogP3:
1.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
267.066g/mol
Monoisotopic Mass:
267.066g/mol
Topological Polar Surface Area:
46.6A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
334
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


NMR Spectrum


Other Analytical Data


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