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68510-70-3

68510-70-3 | 3-Bromo-7-chloro-1H-pyrazolo[4,3-d]pyrimidine

CAS No: 68510-70-3 Catalog No: AG0038I2 MDL No:MFCD09746269

Product Description

Catalog Number:
AG0038I2
Chemical Name:
3-Bromo-7-chloro-1H-pyrazolo[4,3-d]pyrimidine
CAS Number:
68510-70-3
Molecular Formula:
C5H2BrClN4
Molecular Weight:
233.4532
MDL Number:
MFCD09746269
IUPAC Name:
3-bromo-7-chloro-2H-pyrazolo[4,3-d]pyrimidine
InChI:
InChI=1S/C5H2BrClN4/c6-4-2-3(10-11-4)5(7)9-1-8-2/h1H,(H,10,11)
InChI Key:
XPKPUGOHSKBKHT-UHFFFAOYSA-N
SMILES:
Brc1n[nH]c2c1ncnc2Cl

Properties

Complexity:
157  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.915g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
233.453g/mol
Monoisotopic Mass:
231.915g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  

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