Home Other Building Blocks METHYL 1-CHLORO-4-ISOQUINOLINECARBOXYLATE

METHYL 1-CHLORO-4-ISOQUINOLINECARBOXYLATE

CAS No.:
37497-86-2
Catalog Number:
AG00C89G
Molecular Formula:
C11H8ClNO2
Molecular Weight:
221.6397
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
1 week
United States
$1030
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Product Description
Catalog Number:
AG00C89G
Chemical Name:
METHYL 1-CHLORO-4-ISOQUINOLINECARBOXYLATE
CAS Number:
37497-86-2
Molecular Formula:
C11H8ClNO2
Molecular Weight:
221.6397
MDL Number:
MFCD00140353
IUPAC Name:
methyl 1-chloroisoquinoline-4-carboxylate
InChI:
InChI=1S/C11H8ClNO2/c1-15-11(14)9-6-13-10(12)8-5-3-2-4-7(8)9/h2-6H,1H3
InChI Key:
YTJDBMFLRYQTPT-UHFFFAOYSA-N
SMILES:
COC(=O)c1cnc(c2c1cccc2)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:
2.9  
Properties