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124999-47-9 | 4-Pyrimidinecarboxylic acid, 5-chloro-, methyl ester
CAS No: 124999-47-9 Catalog No: AG000MY9 MDL No:
Product Description
Catalog Number:
AG000MY9
Chemical Name:
4-Pyrimidinecarboxylic acid, 5-chloro-, methyl ester
CAS Number:
124999-47-9
Molecular Formula:
C6H5ClN2O2
Molecular Weight:
172.5691
IUPAC Name:
methyl 5-chloropyrimidine-4-carboxylate
InChI:
InChI=1S/C6H5ClN2O2/c1-11-6(10)5-4(7)2-8-3-9-5/h2-3H,1H3
InChI Key:
YQNDTRSJLOUIBN-UHFFFAOYSA-N
SMILES:
COC(=O)c1ncncc1Cl
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.004g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.568g/mol
Monoisotopic Mass:
172.004g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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