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858269-13-3 | Methyl 4-amino-2-chloropyrimidine-5-carboxylate
CAS No: 858269-13-3 Catalog No: AG004O8K MDL No:MFCD14585039
Product Description
Catalog Number:
AG004O8K
Chemical Name:
Methyl 4-amino-2-chloropyrimidine-5-carboxylate
CAS Number:
858269-13-3
Molecular Formula:
C6H6ClN3O2
Molecular Weight:
187.5837
MDL Number:
MFCD14585039
IUPAC Name:
methyl 4-amino-2-chloropyrimidine-5-carboxylate
InChI:
InChI=1S/C6H6ClN3O2/c1-12-5(11)3-2-9-6(7)10-4(3)8/h2H,1H3,(H2,8,9,10)
InChI Key:
VAMYEORYRWNWDD-UHFFFAOYSA-N
SMILES:
COC(=O)c1cnc(nc1N)Cl
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.015g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
187.583g/mol
Monoisotopic Mass:
187.015g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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