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115444-28-5 | 2(3H)-Benzoxazolone, 5-chloro-3-(1-oxopropyl)-
CAS No: 115444-28-5 Catalog No: AG000G0K MDL No:
Product Description
Catalog Number:
AG000G0K
Chemical Name:
2(3H)-Benzoxazolone, 5-chloro-3-(1-oxopropyl)-
CAS Number:
115444-28-5
Molecular Formula:
C10H8ClNO3
Molecular Weight:
225.6284
IUPAC Name:
5-chloro-3-propanoyl-1,3-benzoxazol-2-one
InChI:
InChI=1S/C10H8ClNO3/c1-2-9(13)12-7-5-6(11)3-4-8(7)15-10(12)14/h3-5H,2H2,1H3
InChI Key:
XGUXVRYGXOYDMV-UHFFFAOYSA-N
SMILES:
CCC(=O)n1c(=O)oc2c1cc(Cl)cc2
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.019g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.628g/mol
Monoisotopic Mass:
225.019g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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