Home Halogens Pyrimidine, 5-bromo-2-(1,1-dimethylethoxy)-

Pyrimidine, 5-bromo-2-(1,1-dimethylethoxy)-

CAS No.:
121487-13-6
Catalog Number:
AG00151P
Molecular Formula:
C8H11BrN2O
Molecular Weight:
231.0897
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Product Description
Catalog Number:
AG00151P
Chemical Name:
Pyrimidine, 5-bromo-2-(1,1-dimethylethoxy)-
CAS Number:
121487-13-6
Molecular Formula:
C8H11BrN2O
Molecular Weight:
231.0897
MDL Number:
MFCD09037471
IUPAC Name:
5-bromo-2-[(2-methylpropan-2-yl)oxy]pyrimidine
InChI:
InChI=1S/C8H11BrN2O/c1-8(2,3)12-7-10-4-6(9)5-11-7/h4-5H,1-3H3
InChI Key:
UPKQXRBCDUBUTI-UHFFFAOYSA-N
SMILES:
CC(Oc1ncc(cn1)Br)(C)C
Properties
Complexity:
139  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.005g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.093g/mol
Monoisotopic Mass:
230.005g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
35A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties