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88238-44-2 | 1(3H)-Isobenzofuranone, 6-chloro-3-ethylidene-, (E)-
CAS No: 88238-44-2 Catalog No: AG004CV0 MDL No:
Product Description
Catalog Number:
AG004CV0
Chemical Name:
1(3H)-Isobenzofuranone, 6-chloro-3-ethylidene-, (E)-
CAS Number:
88238-44-2
Molecular Formula:
C10H7ClO2
Molecular Weight:
194.6144
IUPAC Name:
6-chloro-3-ethylidene-2-benzofuran-1-one
InChI:
InChI=1S/C10H7ClO2/c1-2-9-7-4-3-6(11)5-8(7)10(12)13-9/h2-5H,1H3
InChI Key:
FKRBTBDXKRNFRH-UHFFFAOYSA-N
SMILES:
C/C=C\1/OC(=O)c2c1ccc(c2)Cl
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.013g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.614g/mol
Monoisotopic Mass:
194.013g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.8
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