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1086379-59-0 | 3-[(5-Bromopyrimidin-2-yl)oxy]benzoic acid
CAS No: 1086379-59-0 Catalog No: AG01FB56 MDL No:
Product Description
Catalog Number:
AG01FB56
Chemical Name:
3-[(5-Bromopyrimidin-2-yl)oxy]benzoic acid
CAS Number:
1086379-59-0
Molecular Formula:
C11H7BrN2O3
Molecular Weight:
295.0889
IUPAC Name:
3-(5-bromopyrimidin-2-yl)oxybenzoic acid
InChI:
InChI=1S/C11H7BrN2O3/c12-8-5-13-11(14-6-8)17-9-3-1-2-7(4-9)10(15)16/h1-6H,(H,15,16)
InChI Key:
HPJFSTPVQIPYMN-UHFFFAOYSA-N
SMILES:
Brc1cnc(nc1)Oc1cccc(c1)C(=O)O
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.964g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
295.092g/mol
Monoisotopic Mass:
293.964g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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