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100914-68-9 | Methanone, (5-chloro-2-benzofuranyl)phenyl-
CAS No: 100914-68-9 Catalog No: AG00036R MDL No:
Product Description
Catalog Number:
AG00036R
Chemical Name:
Methanone, (5-chloro-2-benzofuranyl)phenyl-
CAS Number:
100914-68-9
Molecular Formula:
C15H9ClO2
Molecular Weight:
256.6838
IUPAC Name:
(5-chloro-1-benzofuran-2-yl)-phenylmethanone
InChI:
InChI=1S/C15H9ClO2/c16-12-6-7-13-11(8-12)9-14(18-13)15(17)10-4-2-1-3-5-10/h1-9H
InChI Key:
HHVWKUYWGYDTMC-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)cc(o2)C(=O)c1ccccc1
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.029g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.685g/mol
Monoisotopic Mass:
256.029g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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