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123343-07-7 | Benzoic acid, 2-chloro-6-[(4,6-dimethoxy-2-pyrimidinyl)thio]-, ethyl ester
CAS No: 123343-07-7 Catalog No: AG000KF7 MDL No:
Product Description
Catalog Number:
AG000KF7
Chemical Name:
Benzoic acid, 2-chloro-6-[(4,6-dimethoxy-2-pyrimidinyl)thio]-, ethyl ester
CAS Number:
123343-07-7
Molecular Formula:
C15H15ClN2O4S
Molecular Weight:
354.8086
IUPAC Name:
ethyl 2-chloro-6-(4,6-dimethoxypyrimidin-2-yl)sulfanylbenzoate
InChI:
InChI=1S/C15H15ClN2O4S/c1-4-22-14(19)13-9(16)6-5-7-10(13)23-15-17-11(20-2)8-12(18-15)21-3/h5-8H,4H2,1-3H3
InChI Key:
USVAJKGHSORVNM-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(cccc1Cl)Sc1nc(OC)cc(n1)OC
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.044g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
354.805g/mol
Monoisotopic Mass:
354.044g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
95.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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