Home Halogens 2-tert-butyl-4-chloro-5-iodopyrimidine

2-tert-butyl-4-chloro-5-iodopyrimidine

CAS No.:
118089-42-2
Catalog Number:
AG01DV1I
Molecular Formula:
C8H10ClIN2
Molecular Weight:
296.5359
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Product Description
Catalog Number:
AG01DV1I
Chemical Name:
2-tert-butyl-4-chloro-5-iodopyrimidine
CAS Number:
118089-42-2
Molecular Formula:
C8H10ClIN2
Molecular Weight:
296.5359
MDL Number:
MFCD21744144
IUPAC Name:
2-tert-butyl-4-chloro-5-iodopyrimidine
InChI:
InChI=1S/C8H10ClIN2/c1-8(2,3)7-11-4-5(10)6(9)12-7/h4H,1-3H3
InChI Key:
LYGFPSSXCLWRMZ-UHFFFAOYSA-N
SMILES:
Ic1cnc(nc1Cl)C(C)(C)C
Properties
Complexity:
158  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.958g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.536g/mol
Monoisotopic Mass:
295.958g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Properties