Home Other Building Blocks 4-(2,4-DICHLOROPHENYL)BUT-3-EN-2-ONE

4-(2,4-DICHLOROPHENYL)BUT-3-EN-2-ONE

CAS No.:
61888-78-6
Catalog Number:
AG003JYL
Molecular Formula:
C10H8Cl2O
Molecular Weight:
215.0759
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Product Description
Catalog Number:
AG003JYL
Chemical Name:
4-(2,4-DICHLOROPHENYL)BUT-3-EN-2-ONE
CAS Number:
61888-78-6
Molecular Formula:
C10H8Cl2O
Molecular Weight:
215.0759
MDL Number:
MFCD00052852
IUPAC Name:
(E)-4-(2,4-dichlorophenyl)but-3-en-2-one
InChI:
InChI=1S/C10H8Cl2O/c1-7(13)2-3-8-4-5-9(11)6-10(8)12/h2-6H,1H3/b3-2+
InChI Key:
SAEQHTBHPNKKRX-NSCUHMNNSA-N
SMILES:
CC(=O)/C=C/c1ccc(cc1Cl)Cl
Properties
Complexity:
213  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
213.995g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.073g/mol
Monoisotopic Mass:
213.995g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties