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113922-37-5 | 2(3H)-Benzoxazolone, 6-chloro-3-(1-methyl-2-oxopropyl)-
CAS No: 113922-37-5 Catalog No: AG000A3C MDL No:
Product Description
Catalog Number:
AG000A3C
Chemical Name:
2(3H)-Benzoxazolone, 6-chloro-3-(1-methyl-2-oxopropyl)-
CAS Number:
113922-37-5
Molecular Formula:
C11H10ClNO3
Molecular Weight:
239.6550
IUPAC Name:
6-chloro-3-(3-oxobutan-2-yl)-1,3-benzoxazol-2-one
InChI:
InChI=1S/C11H10ClNO3/c1-6(7(2)14)13-9-4-3-8(12)5-10(9)16-11(13)15/h3-6H,1-2H3
InChI Key:
VDNXBQFRTVRVBJ-UHFFFAOYSA-N
SMILES:
CC(=O)C(n1c(=O)oc2c1ccc(c2)Cl)C
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.035g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.655g/mol
Monoisotopic Mass:
239.035g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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