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174665-28-2 | Benzoic acid, 4-[2-(2-pyrimidinylamino)ethoxy]-
CAS No: 174665-28-2 Catalog No: AG001ZUN MDL No:
Product Description
Catalog Number:
AG001ZUN
Chemical Name:
Benzoic acid, 4-[2-(2-pyrimidinylamino)ethoxy]-
CAS Number:
174665-28-2
Molecular Formula:
C13H13N3O3
Molecular Weight:
259.2606
IUPAC Name:
4-[2-(pyrimidin-2-ylamino)ethoxy]benzoic acid
InChI:
InChI=1S/C13H13N3O3/c17-12(18)10-2-4-11(5-3-10)19-9-8-16-13-14-6-1-7-15-13/h1-7H,8-9H2,(H,17,18)(H,14,15,16)
InChI Key:
VNACKGDCXCBGMM-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)OCCNc1ncccn1
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.096g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
259.265g/mol
Monoisotopic Mass:
259.096g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
84.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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