Home Halogens ethyl 4-bromo-2-methylpyrimidine-5-carboxylate

ethyl 4-bromo-2-methylpyrimidine-5-carboxylate

CAS No.:
1823496-03-2
Catalog Number:
AG01DZ26
Molecular Formula:
C8H9BrN2O2
Molecular Weight:
245.0733
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Product Description
Catalog Number:
AG01DZ26
Chemical Name:
ethyl 4-bromo-2-methylpyrimidine-5-carboxylate
CAS Number:
1823496-03-2
Molecular Formula:
C8H9BrN2O2
Molecular Weight:
245.0733
MDL Number:
MFCD28166264
IUPAC Name:
ethyl 4-bromo-2-methylpyrimidine-5-carboxylate
InChI:
InChI=1S/C8H9BrN2O2/c1-3-13-8(12)6-4-10-5(2)11-7(6)9/h4H,3H2,1-2H3
InChI Key:
BOBOPWYJBVELHA-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnc(nc1Br)C
Properties
Complexity:
189  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.985g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.076g/mol
Monoisotopic Mass:
243.985g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties