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Home > Bromides > 1299607-70-7
1299607-70-7 | 5-(5-Bromo-pyridin-2-yl)-3-methyl-isoxazole-4-carboxylic acid
CAS No: 1299607-70-7 Catalog No: AG01F6EV MDL No:
Product Description
Catalog Number:
AG01F6EV
Chemical Name:
5-(5-Bromo-pyridin-2-yl)-3-methyl-isoxazole-4-carboxylic acid
CAS Number:
1299607-70-7
Molecular Formula:
C10H7BrN2O3
Molecular Weight:
283.0782
IUPAC Name:
5-(5-bromopyridin-2-yl)-3-methyl-1,2-oxazole-4-carboxylic acid
InChI:
InChI=1S/C10H7BrN2O3/c1-5-8(10(14)15)9(16-13-5)7-3-2-6(11)4-12-7/h2-4H,1H3,(H,14,15)
InChI Key:
LJPTWNZFJNDXOB-UHFFFAOYSA-N
SMILES:
Brc1ccc(nc1)c1onc(c1C(=O)O)C
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.964g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
283.081g/mol
Monoisotopic Mass:
281.964g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
76.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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