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

methyl 4-amino-5-bromopyrimidine-2-carboxylate

CAS No.:
1504062-62-7
Catalog Number:
AG01AG6Q
Molecular Formula:
C6H6BrN3O2
Molecular Weight:
232.0347
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Product Description
Catalog Number:
AG01AG6Q
Chemical Name:
methyl 4-amino-5-bromopyrimidine-2-carboxylate
CAS Number:
1504062-62-7
Molecular Formula:
C6H6BrN3O2
Molecular Weight:
232.0347
MDL Number:
MFCD21745467
IUPAC Name:
methyl 4-amino-5-bromopyrimidine-2-carboxylate
InChI:
InChI=1S/C6H6BrN3O2/c1-12-6(11)5-9-2-3(7)4(8)10-5/h2H,1H3,(H2,8,9,10)
InChI Key:
QFPMDKUCSXAQLF-UHFFFAOYSA-N
SMILES:
COC(=O)c1ncc(c(n1)N)Br
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