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1312162-77-8 | 5-Pyrimidineacetic acid, 2,4,6-trichloro-α-methyl-, ethyl ester
CAS No: 1312162-77-8 Catalog No: AG000VQK MDL No:
Product Description
Catalog Number:
AG000VQK
Chemical Name:
5-Pyrimidineacetic acid, 2,4,6-trichloro-α-methyl-, ethyl ester
CAS Number:
1312162-77-8
Molecular Formula:
C9H9Cl3N2O2
Molecular Weight:
283.5390
IUPAC Name:
ethyl 2-(2,4,6-trichloropyrimidin-5-yl)propanoate
InChI:
InChI=1S/C9H9Cl3N2O2/c1-3-16-8(15)4(2)5-6(10)13-9(12)14-7(5)11/h4H,3H2,1-2H3
InChI Key:
YYBVJJHBOZAZDW-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(c1c(Cl)nc(nc1Cl)Cl)C
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.973g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.533g/mol
Monoisotopic Mass:
281.973g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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