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Home Halogens methyl 6-amino-2-chloro-5-methoxypyrimidine-4-carboxylate

methyl 6-amino-2-chloro-5-methoxypyrimidine-4-carboxylate

CAS No.:
1126320-49-7
Catalog Number:
AG01E9JN
Molecular Formula:
C7H8ClN3O3
Molecular Weight:
217.6097
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Product Description
Catalog Number:
AG01E9JN
Chemical Name:
methyl 6-amino-2-chloro-5-methoxypyrimidine-4-carboxylate
CAS Number:
1126320-49-7
Molecular Formula:
C7H8ClN3O3
Molecular Weight:
217.6097
MDL Number:
MFCD16652305
IUPAC Name:
methyl 6-amino-2-chloro-5-methoxypyrimidine-4-carboxylate
InChI:
InChI=1S/C7H8ClN3O3/c1-13-4-3(6(12)14-2)10-7(8)11-5(4)9/h1-2H3,(H2,9,10,11)
InChI Key:
VHXVXHHVPQJMFM-UHFFFAOYSA-N
SMILES:
COC(=O)c1nc(Cl)nc(c1OC)N
Properties
Complexity:
216  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.025g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
217.609g/mol
Monoisotopic Mass:
217.025g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
87.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties