Home Other Building Blocks 3-BROMOPYRAZOLO[1,5-A]PYRIMIDINE-2-CARBOXYLIC ACID

3-BROMOPYRAZOLO[1,5-A]PYRIMIDINE-2-CARBOXYLIC ACID

CAS No.:
832740-60-0
Catalog Number:
AG00G2RF
Molecular Formula:
C7H4BrN3O2
Molecular Weight:
242.0296
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Product Description
Catalog Number:
AG00G2RF
Chemical Name:
3-BROMOPYRAZOLO[1,5-A]PYRIMIDINE-2-CARBOXYLIC ACID
CAS Number:
832740-60-0
Molecular Formula:
C7H4BrN3O2
Molecular Weight:
242.0296
MDL Number:
MFCD02253981
IUPAC Name:
3-bromopyrazolo[1,5-a]pyrimidine-2-carboxylic acid
InChI:
InChI=1S/C7H4BrN3O2/c8-4-5(7(12)13)10-11-3-1-2-9-6(4)11/h1-3H,(H,12,13)
InChI Key:
JEBAERKIRWXWQL-UHFFFAOYSA-N
SMILES:
OC(=O)c1nn2c(c1Br)nccc2
Properties
Complexity:
226  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.949g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
242.032g/mol
Monoisotopic Mass:
240.949g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties