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1273577-71-1

1273577-71-1 | Pyrazolo[1,5-a]pyrimidine-6-carboxylic acid, 3-bromo-

CAS No: 1273577-71-1 Catalog No: AG000WY8 MDL No:MFCD13185879

Product Description

Catalog Number:
AG000WY8
Chemical Name:
Pyrazolo[1,5-a]pyrimidine-6-carboxylic acid, 3-bromo-
CAS Number:
1273577-71-1
Molecular Formula:
C7H4BrN3O2
Molecular Weight:
242.0296
MDL Number:
MFCD13185879
IUPAC Name:
3-bromopyrazolo[1,5-a]pyrimidine-6-carboxylic acid
InChI:
InChI=1S/C7H4BrN3O2/c8-5-2-10-11-3-4(7(12)13)1-9-6(5)11/h1-3H,(H,12,13)
InChI Key:
GBQGTCYTOSPGPY-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnc2n(c1)ncc2Br

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:
0.5  

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