Home Halogens methyl 4-chloro-6-methylpyrimidine-5-carboxylate

methyl 4-chloro-6-methylpyrimidine-5-carboxylate

CAS No.:
157981-59-4
Catalog Number:
AG01DVPS
Molecular Formula:
C7H7ClN2O2
Molecular Weight:
186.5957
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Product Description
Catalog Number:
AG01DVPS
Chemical Name:
methyl 4-chloro-6-methylpyrimidine-5-carboxylate
CAS Number:
157981-59-4
Molecular Formula:
C7H7ClN2O2
Molecular Weight:
186.5957
MDL Number:
MFCD31617027
IUPAC Name:
methyl 4-chloro-6-methylpyrimidine-5-carboxylate
InChI:
InChI=1S/C7H7ClN2O2/c1-4-5(7(11)12-2)6(8)10-3-9-4/h3H,1-2H3
InChI Key:
IIMAXQZBMLWIBX-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(C)ncnc1Cl
Properties
Complexity:
177  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.02g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.595g/mol
Monoisotopic Mass:
186.02g/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