Home Halogens 4-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-6-chloropyrimidine

4-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-6-chloropyrimidine

CAS No.:
1249028-51-0
Catalog Number:
AG01DTDW
Molecular Formula:
C9H8BrClN4
Molecular Weight:
287.5436
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Product Description
Catalog Number:
AG01DTDW
Chemical Name:
4-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-6-chloropyrimidine
CAS Number:
1249028-51-0
Molecular Formula:
C9H8BrClN4
Molecular Weight:
287.5436
MDL Number:
MFCD16686969
IUPAC Name:
4-(4-bromo-3,5-dimethylpyrazol-1-yl)-6-chloropyrimidine
InChI:
InChI=1S/C9H8BrClN4/c1-5-9(10)6(2)15(14-5)8-3-7(11)12-4-13-8/h3-4H,1-2H3
InChI Key:
LORLLPBLXAZPMG-UHFFFAOYSA-N
SMILES:
Clc1ncnc(c1)n1nc(c(c1C)Br)C
Properties
Complexity:
230  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.962g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.545g/mol
Monoisotopic Mass:
285.962g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
43.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties