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156092-12-5

156092-12-5 | 1-Butanone, 4-bromo-1-(4-chlorophenyl)-

CAS No: 156092-12-5 Catalog No: AG001OI9 MDL No:MFCD16333877

Product Description

Catalog Number:
AG001OI9
Chemical Name:
1-Butanone, 4-bromo-1-(4-chlorophenyl)-
CAS Number:
156092-12-5
Molecular Formula:
C10H10BrClO
Molecular Weight:
261.5428
MDL Number:
MFCD16333877
IUPAC Name:
4-bromo-1-(4-chlorophenyl)butan-1-one
InChI:
InChI=1S/C10H10BrClO/c11-7-1-2-10(13)8-3-5-9(12)6-4-8/h3-6H,1-2,7H2
InChI Key:
VQZCACGMEDIQKK-UHFFFAOYSA-N
SMILES:
BrCCCC(=O)c1ccc(cc1)Cl

Properties

Complexity:
164  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.96g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.543g/mol
Monoisotopic Mass:
259.96g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  

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