Home Carboxys 6-Bromo-4-indazolecarboxylic acid methyl ester

6-Bromo-4-indazolecarboxylic acid methyl ester

CAS No.:
885518-49-0
Catalog Number:
AG003588
Molecular Formula:
C9H7BrN2O2
Molecular Weight:
255.0681
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
>97%
In Stock USA
United States
$50
- +
1g
95%
In Stock USA
United States
$61
- +
5g
95%
In Stock USA
United States
$66
- +
Product Description
Catalog Number:
AG003588
Chemical Name:
6-Bromo-4-indazolecarboxylic acid methyl ester
CAS Number:
885518-49-0
Molecular Formula:
C9H7BrN2O2
Molecular Weight:
255.0681
MDL Number:
MFCD07781319
IUPAC Name:
methyl 6-bromo-1H-indazole-4-carboxylate
InChI:
InChI=1S/C9H7BrN2O2/c1-14-9(13)6-2-5(10)3-8-7(6)4-11-12-8/h2-4H,1H3,(H,11,12)
InChI Key:
FEPRHRPOKPTRQZ-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(Br)cc2c1cn[nH]2
Properties
Complexity:
237  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.969g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
255.071g/mol
Monoisotopic Mass:
253.969g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties