Home Carboxys 7-Bromoisoquinoline-3-carboxylic acid

7-Bromoisoquinoline-3-carboxylic acid

CAS No.:
660830-63-7
Catalog Number:
AG0038JV
Molecular Formula:
C10H6BrNO2
Molecular Weight:
252.0641
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
1 week
United States
$432
- +
1g
95%
1 week
United States
$1025
- +
Product Description
Catalog Number:
AG0038JV
Chemical Name:
7-Bromoisoquinoline-3-carboxylic acid
CAS Number:
660830-63-7
Molecular Formula:
C10H6BrNO2
Molecular Weight:
252.0641
MDL Number:
MFCD13193280
IUPAC Name:
7-bromoisoquinoline-3-carboxylic acid
InChI:
InChI=1S/C10H6BrNO2/c11-8-2-1-6-4-9(10(13)14)12-5-7(6)3-8/h1-5H,(H,13,14)
InChI Key:
OTFHFFYMJNOJCX-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)cnc(c2)C(=O)O
Properties
Complexity:
234  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.958g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
252.067g/mol
Monoisotopic Mass:
250.958g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties