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113761-80-1 | Benzoic acid, 2-chloro-6-[(4,6-dimethoxy-2-pyrimidinyl)oxy]-
CAS No: 113761-80-1 Catalog No: AG0009L7 MDL No:
Product Description
Catalog Number:
AG0009L7
Chemical Name:
Benzoic acid, 2-chloro-6-[(4,6-dimethoxy-2-pyrimidinyl)oxy]-
CAS Number:
113761-80-1
Molecular Formula:
C13H11ClN2O5
Molecular Weight:
310.6898
IUPAC Name:
2-chloro-6-(4,6-dimethoxypyrimidin-2-yl)oxybenzoic acid
InChI:
InChI=1S/C13H11ClN2O5/c1-19-9-6-10(20-2)16-13(15-9)21-8-5-3-4-7(14)11(8)12(17)18/h3-6H,1-2H3,(H,17,18)
InChI Key:
LJSAQLRCMQXRTJ-UHFFFAOYSA-N
SMILES:
COc1cc(OC)nc(n1)Oc1cccc(c1C(=O)O)Cl
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.036g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
310.69g/mol
Monoisotopic Mass:
310.036g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
90.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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