Home Carboxys 3-Bromo-7-azaindole-4-carboxylic acid

3-Bromo-7-azaindole-4-carboxylic acid

CAS No.:
1190314-17-0
Catalog Number:
AG000HLG
Molecular Formula:
C8H5BrN2O2
Molecular Weight:
241.0415
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Product Description
Catalog Number:
AG000HLG
Chemical Name:
3-Bromo-7-azaindole-4-carboxylic acid
CAS Number:
1190314-17-0
Molecular Formula:
C8H5BrN2O2
Molecular Weight:
241.0415
MDL Number:
MFCD12962700
IUPAC Name:
3-bromo-1H-pyrrolo[2,3-b]pyridine-4-carboxylic acid
InChI:
InChI=1S/C8H5BrN2O2/c9-5-3-11-7-6(5)4(8(12)13)1-2-10-7/h1-3H,(H,10,11)(H,12,13)
InChI Key:
DLHZKMNKZGVAEW-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccnc2c1c(Br)c[nH]2
Properties
Complexity:
224  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.953g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
241.044g/mol
Monoisotopic Mass:
239.953g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties