Home Halogens 1-chloroisoquinoline-3-carboxylic acid

1-chloroisoquinoline-3-carboxylic acid

CAS No.:
1049606-80-5
Catalog Number:
AG008VH6
Molecular Formula:
C10H6ClNO2
Molecular Weight:
207.6131
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
1 week
United States
$212
- +
1g
1 week
United States
$559
- +
Product Description
Catalog Number:
AG008VH6
Chemical Name:
1-chloroisoquinoline-3-carboxylic acid
CAS Number:
1049606-80-5
Molecular Formula:
C10H6ClNO2
Molecular Weight:
207.6131
MDL Number:
MFCD10686865
IUPAC Name:
1-chloroisoquinoline-3-carboxylic acid
InChI:
InChI=1S/C10H6ClNO2/c11-9-7-4-2-1-3-6(7)5-8(12-9)10(13)14/h1-5H,(H,13,14)
InChI Key:
OLWCTKFRPTUTGY-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc2ccccc2c(n1)Cl
Properties
Complexity:
234  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.009g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
207.613g/mol
Monoisotopic Mass:
207.009g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties