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100914-72-5 | Methanone, (5-chloro-2-benzofuranyl)(4-hydroxyphenyl)-
CAS No: 100914-72-5 Catalog No: AG00036Q MDL No:
Product Description
Catalog Number:
AG00036Q
Chemical Name:
Methanone, (5-chloro-2-benzofuranyl)(4-hydroxyphenyl)-
CAS Number:
100914-72-5
Molecular Formula:
C15H9ClO3
Molecular Weight:
272.6832
IUPAC Name:
(5-chloro-1-benzofuran-2-yl)-(4-hydroxyphenyl)methanone
InChI:
InChI=1S/C15H9ClO3/c16-11-3-6-13-10(7-11)8-14(19-13)15(18)9-1-4-12(17)5-2-9/h1-8,17H
InChI Key:
DFGMTGTTWQLBHH-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)C(=O)c1cc2c(o1)ccc(c2)Cl
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.024g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
272.684g/mol
Monoisotopic Mass:
272.024g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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