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855841-14-4 | 5-chloro-2-phenyl-1,3-oxazole-4-carboxamide
CAS No: 855841-14-4 Catalog No: AG00VVHG MDL No:MFCD22375299
Product Description
Catalog Number:
AG00VVHG
Chemical Name:
5-chloro-2-phenyl-1,3-oxazole-4-carboxamide
CAS Number:
855841-14-4
Molecular Formula:
C10H7ClN2O2
Molecular Weight:
222.6278
MDL Number:
MFCD22375299
IUPAC Name:
5-chloro-2-phenyl-1,3-oxazole-4-carboxamide
InChI:
InChI=1S/C10H7ClN2O2/c11-8-7(9(12)14)13-10(15-8)6-4-2-1-3-5-6/h1-5H,(H2,12,14)
InChI Key:
BOOJFIOTCAUJQA-UHFFFAOYSA-N
SMILES:
NC(=O)c1nc(oc1Cl)c1ccccc1
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.02g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.628g/mol
Monoisotopic Mass:
222.02g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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