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82891-77-8 | Oxazole, 2-(3-chlorophenyl)-4,5-dihydro-
CAS No: 82891-77-8 Catalog No: AG004S8O MDL No:
Product Description
Catalog Number:
AG004S8O
Chemical Name:
Oxazole, 2-(3-chlorophenyl)-4,5-dihydro-
CAS Number:
82891-77-8
Molecular Formula:
C9H8ClNO
Molecular Weight:
181.6189
IUPAC Name:
2-(3-chlorophenyl)-4,5-dihydro-1,3-oxazole
InChI:
InChI=1S/C9H8ClNO/c10-8-3-1-2-7(6-8)9-11-4-5-12-9/h1-3,6H,4-5H2
InChI Key:
YVFGKLOCLJNMLH-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)C1=NCCO1
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.029g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.619g/mol
Monoisotopic Mass:
181.029g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
21.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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