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23464-96-2 | 2-Oxazolepropanoic acid, 5-(4-bromophenyl)-
CAS No: 23464-96-2 Catalog No: AG002NBR MDL No:MFCD07784410
Product Description
Catalog Number:
AG002NBR
Chemical Name:
2-Oxazolepropanoic acid, 5-(4-bromophenyl)-
CAS Number:
23464-96-2
Molecular Formula:
C12H10BrNO3
Molecular Weight:
296.1167
MDL Number:
MFCD07784410
IUPAC Name:
3-[5-(4-bromophenyl)-1,3-oxazol-2-yl]propanoic acid
InChI:
InChI=1S/C12H10BrNO3/c13-9-3-1-8(2-4-9)10-7-14-11(17-10)5-6-12(15)16/h1-4,7H,5-6H2,(H,15,16)
InChI Key:
JLFDJAGKPSZXGN-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1ncc(o1)c1ccc(cc1)Br
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.984g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
296.12g/mol
Monoisotopic Mass:
294.984g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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