Home Halogens methyl 7-chloroisoquinoline-4-carboxylate

methyl 7-chloroisoquinoline-4-carboxylate

CAS No.:
1367827-00-6
Catalog Number:
AG01B2K3
Molecular Formula:
C11H8ClNO2
Molecular Weight:
221.6397
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Product Description
Catalog Number:
AG01B2K3
Chemical Name:
methyl 7-chloroisoquinoline-4-carboxylate
CAS Number:
1367827-00-6
Molecular Formula:
C11H8ClNO2
Molecular Weight:
221.6397
MDL Number:
MFCD26668787
IUPAC Name:
methyl 7-chloroisoquinoline-4-carboxylate
InChI:
InChI=1S/C11H8ClNO2/c1-15-11(14)10-6-13-5-7-4-8(12)2-3-9(7)10/h2-6H,1H3
InChI Key:
SJKNJIUFAPVPAI-UHFFFAOYSA-N
SMILES:
COC(=O)c1cncc2c1ccc(c2)Cl
Properties
Complexity:
247  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.024g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.64g/mol
Monoisotopic Mass:
221.024g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties