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945836-05-5 | 5-(4-Bromophenyl)-picolinic acid
CAS No: 945836-05-5 Catalog No: AG01EZJR MDL No:
Product Description
Catalog Number:
AG01EZJR
Chemical Name:
5-(4-Bromophenyl)-picolinic acid
CAS Number:
945836-05-5
Molecular Formula:
C12H8BrNO2
Molecular Weight:
278.1014
IUPAC Name:
5-(4-bromophenyl)pyridine-2-carboxylic acid
InChI:
InChI=1S/C12H8BrNO2/c13-10-4-1-8(2-5-10)9-3-6-11(12(15)16)14-7-9/h1-7H,(H,15,16)
InChI Key:
UYYSTFWEBIWITE-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)c1ccc(nc1)C(=O)O
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.974g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
278.105g/mol
Monoisotopic Mass:
276.974g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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