Home Halogens 3-bromo-1-(4-ethylphenyl)propan-1-one

3-bromo-1-(4-ethylphenyl)propan-1-one

CAS No.:
33994-10-4
Catalog Number:
AG01BBUL
Molecular Formula:
C11H13BrO
Molecular Weight:
241.1243
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Product Description
Catalog Number:
AG01BBUL
Chemical Name:
3-bromo-1-(4-ethylphenyl)propan-1-one
CAS Number:
33994-10-4
Molecular Formula:
C11H13BrO
Molecular Weight:
241.1243
MDL Number:
MFCD18391261
IUPAC Name:
3-bromo-1-(4-ethylphenyl)propan-1-one
InChI:
InChI=1S/C11H13BrO/c1-2-9-3-5-10(6-4-9)11(13)7-8-12/h3-6H,2,7-8H2,1H3
InChI Key:
GMRIFXZJLROZIY-UHFFFAOYSA-N
SMILES:
BrCCC(=O)c1ccc(cc1)CC
Properties
Complexity:
160  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.015g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.128g/mol
Monoisotopic Mass:
240.015g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties