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132383-36-9 | 2(3H)-Benzoxazolone, 6-(3-chloro-1-oxopropyl)-
CAS No: 132383-36-9 Catalog No: AG0010MU MDL No:MFCD20483319
Product Description
Catalog Number:
AG0010MU
Chemical Name:
2(3H)-Benzoxazolone, 6-(3-chloro-1-oxopropyl)-
CAS Number:
132383-36-9
Molecular Formula:
C10H8ClNO3
Molecular Weight:
225.6284
MDL Number:
MFCD20483319
IUPAC Name:
6-(3-chloropropanoyl)-3H-1,3-benzoxazol-2-one
InChI:
InChI=1S/C10H8ClNO3/c11-4-3-8(13)6-1-2-7-9(5-6)15-10(14)12-7/h1-2,5H,3-4H2,(H,12,14)
InChI Key:
MXIZTDFUEUBMPE-UHFFFAOYSA-N
SMILES:
ClCCC(=O)c1ccc2c(c1)oc(=O)[nH]2
Properties
Complexity:
282
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:
1
Isotope Atom Count:
0
Molecular Weight:
225.628g/mol
Monoisotopic Mass:
225.019g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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