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18852-53-4 | 1(3H)-Isobenzofuranone, 3-chloro-3-phenyl-
CAS No: 18852-53-4 Catalog No: AG002GYK MDL No:
Product Description
Catalog Number:
AG002GYK
Chemical Name:
1(3H)-Isobenzofuranone, 3-chloro-3-phenyl-
CAS Number:
18852-53-4
Molecular Formula:
C14H9ClO2
Molecular Weight:
244.6731
IUPAC Name:
3-chloro-3-phenyl-2-benzofuran-1-one
InChI:
InChI=1S/C14H9ClO2/c15-14(10-6-2-1-3-7-10)12-9-5-4-8-11(12)13(16)17-14/h1-9H
InChI Key:
CAYYZOKWYGGFAV-UHFFFAOYSA-N
SMILES:
O=C1OC(c2c1cccc2)(Cl)c1ccccc1
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.029g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.674g/mol
Monoisotopic Mass:
244.029g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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