Home Carboxys Methyl 4-broMopyriMidine-2-carboxylate

Methyl 4-broMopyriMidine-2-carboxylate

CAS No.:
1206250-40-9
Catalog Number:
AG008Z2M
Molecular Formula:
C6H5BrN2O2
Molecular Weight:
217.0201
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Product Description
Catalog Number:
AG008Z2M
Chemical Name:
Methyl 4-broMopyriMidine-2-carboxylate
CAS Number:
1206250-40-9
Molecular Formula:
C6H5BrN2O2
Molecular Weight:
217.0201
MDL Number:
MFCD14582099
IUPAC Name:
methyl 4-bromopyrimidine-2-carboxylate
InChI:
InChI=1S/C6H5BrN2O2/c1-11-6(10)5-8-3-2-4(7)9-5/h2-3H,1H3
InChI Key:
WOCGLGITKPNEFI-UHFFFAOYSA-N
SMILES:
COC(=O)c1nccc(n1)Br
Properties
Complexity:
154  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.953g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.022g/mol
Monoisotopic Mass:
215.953g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties