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127988-85-6 | Phenol, 4-(5-chloro-2-benzofuranyl)-
CAS No: 127988-85-6 Catalog No: AG000XNF MDL No:
Product Description
Catalog Number:
AG000XNF
Chemical Name:
Phenol, 4-(5-chloro-2-benzofuranyl)-
CAS Number:
127988-85-6
Molecular Formula:
C14H9ClO2
Molecular Weight:
244.6731
IUPAC Name:
4-(5-chloro-1-benzofuran-2-yl)phenol
InChI:
InChI=1S/C14H9ClO2/c15-11-3-6-13-10(7-11)8-14(17-13)9-1-4-12(16)5-2-9/h1-8,16H
InChI Key:
IZMHRHFIVMPTQG-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)c1cc2c(o1)ccc(c2)Cl
Properties
Complexity:
263
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:
1
Isotope Atom Count:
0
Molecular Weight:
244.674g/mol
Monoisotopic Mass:
244.029g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
33.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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