Home Halogens 5-bromo-2-(butan-2-yl)-4-chloropyrimidine

5-bromo-2-(butan-2-yl)-4-chloropyrimidine

CAS No.:
1506786-09-9
Catalog Number:
AG01DVFV
Molecular Formula:
C8H10BrClN2
Molecular Weight:
249.5354
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Product Description
Catalog Number:
AG01DVFV
Chemical Name:
5-bromo-2-(butan-2-yl)-4-chloropyrimidine
CAS Number:
1506786-09-9
Molecular Formula:
C8H10BrClN2
Molecular Weight:
249.5354
MDL Number:
MFCD21744020
IUPAC Name:
5-bromo-2-butan-2-yl-4-chloropyrimidine
InChI:
InChI=1S/C8H10BrClN2/c1-3-5(2)8-11-4-6(9)7(10)12-8/h4-5H,3H2,1-2H3
InChI Key:
PSIAZRNNZHABSQ-UHFFFAOYSA-N
SMILES:
CCC(c1ncc(c(n1)Cl)Br)C
Properties
Complexity:
145  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.972g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.536g/mol
Monoisotopic Mass:
247.972g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties