Home Carboxys 4-Bromo-1-methyl-1H-indazole-3-carboxylic acid

4-Bromo-1-methyl-1H-indazole-3-carboxylic acid

CAS No.:
1363380-97-5
Catalog Number:
AG00HUJH
Molecular Formula:
C9H7BrN2O2
Molecular Weight:
255.0681
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Product Description
Catalog Number:
AG00HUJH
Chemical Name:
4-Bromo-1-methyl-1H-indazole-3-carboxylic acid
CAS Number:
1363380-97-5
Molecular Formula:
C9H7BrN2O2
Molecular Weight:
255.0681
IUPAC Name:
4-bromo-1-methylindazole-3-carboxylic acid
InChI:
InChI=1S/C9H7BrN2O2/c1-12-6-4-2-3-5(10)7(6)8(11-12)9(13)14/h2-4H,1H3,(H,13,14)
InChI Key:
AGRNZVLPOSJJNT-UHFFFAOYSA-N
SMILES:
OC(=O)c1nn(c2c1c(Br)ccc2)C
Properties
Complexity:
249  
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:
1  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties