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

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

CAS No.:
1008996-86-8
Catalog Number:
AG00H9DG
Molecular Formula:
C13H14ClNO3
Molecular Weight:
267.7082
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Product Description
Catalog Number:
AG00H9DG
Chemical Name:
methyl (3R)-2-(2-chloroacetyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate
CAS Number:
1008996-86-8
Molecular Formula:
C13H14ClNO3
Molecular Weight:
267.7082
MDL Number:
MFCD06376743
IUPAC Name:
methyl 2-(2-chloroacetyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate
InChI:
InChI=1S/C13H14ClNO3/c1-18-13(17)11-6-9-4-2-3-5-10(9)8-15(11)12(16)7-14/h2-5,11H,6-8H2,1H3
InChI Key:
YOYAEGIJBAENNO-UHFFFAOYSA-N
SMILES:
COC(=O)C1Cc2ccccc2CN1C(=O)CCl
Properties
Complexity:
334  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.066g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.709g/mol
Monoisotopic Mass:
267.066g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties