Home Halogens 2-({[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl}sulfanyl)propanoic acid

2-({[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl}sulfanyl)propanoic acid

CAS No.:
1094685-51-4
Catalog Number:
AG019XEC
Molecular Formula:
C13H12ClNO3S
Molecular Weight:
297.7573
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Product Description
Catalog Number:
AG019XEC
Chemical Name:
2-({[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl}sulfanyl)propanoic acid
CAS Number:
1094685-51-4
Molecular Formula:
C13H12ClNO3S
Molecular Weight:
297.7573
MDL Number:
MFCD12655852
IUPAC Name:
2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]propanoic acid
InChI:
InChI=1S/C13H12ClNO3S/c1-8(13(16)17)19-7-12-15-6-11(18-12)9-2-4-10(14)5-3-9/h2-6,8H,7H2,1H3,(H,16,17)
InChI Key:
XQNVKJQDDKBJFO-UHFFFAOYSA-N
SMILES:
OC(=O)C(SCc1ncc(o1)c1ccc(cc1)Cl)C
Properties
Complexity:
310  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.023g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
297.753g/mol
Monoisotopic Mass:
297.023g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
88.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties