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114570-70-6 | 2-Propen-1-one, 1-(4-chlorophenyl)-3-(2-furanyl)-, (2E)-
CAS No: 114570-70-6 Catalog No: AG000EQM MDL No:MFCD00239041
Product Description
Catalog Number:
AG000EQM
Chemical Name:
2-Propen-1-one, 1-(4-chlorophenyl)-3-(2-furanyl)-, (2E)-
CAS Number:
114570-70-6
Molecular Formula:
C13H9ClO2
Molecular Weight:
232.6624
MDL Number:
MFCD00239041
IUPAC Name:
(E)-1-(4-chlorophenyl)-3-(furan-2-yl)prop-2-en-1-one
InChI:
InChI=1S/C13H9ClO2/c14-11-5-3-10(4-6-11)13(15)8-7-12-2-1-9-16-12/h1-9H/b8-7+
InChI Key:
BSRFCMNOLFOGST-BQYQJAHWSA-N
SMILES:
Clc1ccc(cc1)C(=O)/C=C/c1ccco1
NSC Number:
21621
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
232.029g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.663g/mol
Monoisotopic Mass:
232.029g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
30.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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