Home Halogens 5-chloro-3-phenyl-1,2-oxazole-4-carboxylic acid

5-chloro-3-phenyl-1,2-oxazole-4-carboxylic acid

CAS No.:
3357-00-4
Catalog Number:
AG01EKTJ
Molecular Formula:
C10H6ClNO3
Molecular Weight:
223.6125
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Product Description
Catalog Number:
AG01EKTJ
Chemical Name:
5-chloro-3-phenyl-1,2-oxazole-4-carboxylic acid
CAS Number:
3357-00-4
Molecular Formula:
C10H6ClNO3
Molecular Weight:
223.6125
MDL Number:
MFCD31665119
IUPAC Name:
5-chloro-3-phenyl-1,2-oxazole-4-carboxylic acid
InChI:
InChI=1S/C10H6ClNO3/c11-9-7(10(13)14)8(12-15-9)6-4-2-1-3-5-6/h1-5H,(H,13,14)
InChI Key:
NOODULVPGVRXRA-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(Cl)onc1c1ccccc1
Properties
Complexity:
243  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.004g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
223.612g/mol
Monoisotopic Mass:
223.004g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties