Home Halogens 5-Isoquinolinecarboxylic acid, 3-chloro-, methyl ester

5-Isoquinolinecarboxylic acid, 3-chloro-, methyl ester

CAS No.:
1432514-90-3
Catalog Number:
AG00HWUD
Molecular Formula:
C11H8ClNO2
Molecular Weight:
221.6397
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
97%
1 week
United States
$400
- +
250mg
97%
1 week
United States
$764
- +
1g
97%
1 week
United States
$1856
- +
Product Description
Catalog Number:
AG00HWUD
Chemical Name:
5-Isoquinolinecarboxylic acid, 3-chloro-, methyl ester
CAS Number:
1432514-90-3
Molecular Formula:
C11H8ClNO2
Molecular Weight:
221.6397
MDL Number:
MFCD28141526
IUPAC Name:
methyl 3-chloroisoquinoline-5-carboxylate
InChI:
InChI=1S/C11H8ClNO2/c1-15-11(14)8-4-2-3-7-6-13-10(12)5-9(7)8/h2-6H,1H3
InChI Key:
HQMJCGZZCAZVDO-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc2c1cc(Cl)nc2
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