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175204-93-0

175204-93-0 | 1-Butanone, 4-bromo-1-(3,4-dimethylphenyl)-

CAS No: 175204-93-0 Catalog No: AG0020NR MDL No:

Product Description

Catalog Number:
AG0020NR
Chemical Name:
1-Butanone, 4-bromo-1-(3,4-dimethylphenyl)-
CAS Number:
175204-93-0
Molecular Formula:
C12H15BrO
Molecular Weight:
255.1509
IUPAC Name:
4-bromo-1-(3,4-dimethylphenyl)butan-1-one
InChI:
InChI=1S/C12H15BrO/c1-9-5-6-11(8-10(9)2)12(14)4-3-7-13/h5-6,8H,3-4,7H2,1-2H3
InChI Key:
KJAHFTGHLQRZGA-UHFFFAOYSA-N
SMILES:
BrCCCC(=O)c1ccc(c(c1)C)C

Properties

Complexity:
191  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.031g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.155g/mol
Monoisotopic Mass:
254.031g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  

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