Home Other Building Blocks 4-[(5-BROMOPYRIDIN-2-YL)OXY]BENZOIC ACID

4-[(5-BROMOPYRIDIN-2-YL)OXY]BENZOIC ACID

CAS No.:
58835-85-1
Catalog Number:
AG01EL91
Molecular Formula:
C12H8BrNO3
Molecular Weight:
294.1008
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Product Description
Catalog Number:
AG01EL91
Chemical Name:
4-[(5-BROMOPYRIDIN-2-YL)OXY]BENZOIC ACID
CAS Number:
58835-85-1
Molecular Formula:
C12H8BrNO3
Molecular Weight:
294.1008
MDL Number:
MFCD16385422
IUPAC Name:
4-(5-bromopyridin-2-yl)oxybenzoic acid
InChI:
InChI=1S/C12H8BrNO3/c13-9-3-6-11(14-7-9)17-10-4-1-8(2-5-10)12(15)16/h1-7H,(H,15,16)
InChI Key:
OGGQOULELPJGEK-UHFFFAOYSA-N
SMILES:
Brc1ccc(nc1)Oc1ccc(cc1)C(=O)O
Properties
Complexity:
267  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.969g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
294.104g/mol
Monoisotopic Mass:
292.969g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties