Home Halogens Methyl 2-amino-5-bromopyrimidine-4-carboxylate

Methyl 2-amino-5-bromopyrimidine-4-carboxylate

CAS No.:
1034737-23-9
Catalog Number:
AG0085O3
Molecular Formula:
C6H6BrN3O2
Molecular Weight:
232.0347
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Product Description
Catalog Number:
AG0085O3
Chemical Name:
Methyl 2-amino-5-bromopyrimidine-4-carboxylate
CAS Number:
1034737-23-9
Molecular Formula:
C6H6BrN3O2
Molecular Weight:
232.0347
MDL Number:
MFCD09966084
IUPAC Name:
methyl 2-amino-5-bromopyrimidine-4-carboxylate
InChI:
InChI=1S/C6H6BrN3O2/c1-12-5(11)4-3(7)2-9-6(8)10-4/h2H,1H3,(H2,8,9,10)
InChI Key:
SKLATOCEDFADID-UHFFFAOYSA-N
SMILES:
COC(=O)c1nc(N)ncc1Br
Properties
Complexity:
178  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.964g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
232.037g/mol
Monoisotopic Mass:
230.964g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
78.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties