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Home > Bromides > 1255635-99-4
1255635-99-4 | Benzoic acid, 4-(5-bromo-2-pyridinyl)-
CAS No: 1255635-99-4 Catalog No: AG000NW1 MDL No:
Product Description
Catalog Number:
AG000NW1
Chemical Name:
Benzoic acid, 4-(5-bromo-2-pyridinyl)-
CAS Number:
1255635-99-4
Molecular Formula:
C12H8BrNO2
Molecular Weight:
278.1014
IUPAC Name:
4-(5-bromopyridin-2-yl)benzoic acid
InChI:
InChI=1S/C12H8BrNO2/c13-10-5-6-11(14-7-10)8-1-3-9(4-2-8)12(15)16/h1-7H,(H,15,16)
InChI Key:
FTSFOBKADPFBGR-UHFFFAOYSA-N
SMILES:
Brc1ccc(nc1)c1ccc(cc1)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:
2.7
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