Home Halogens 2-(3-bromophenyl)pentan-3-one

2-(3-bromophenyl)pentan-3-one

CAS No.:
1518927-51-9
Catalog Number:
AG01DVIB
Molecular Formula:
C11H13BrO
Molecular Weight:
241.1243
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Product Description
Catalog Number:
AG01DVIB
Chemical Name:
2-(3-bromophenyl)pentan-3-one
CAS Number:
1518927-51-9
Molecular Formula:
C11H13BrO
Molecular Weight:
241.1243
MDL Number:
MFCD21842866
IUPAC Name:
2-(3-bromophenyl)pentan-3-one
InChI:
InChI=1S/C11H13BrO/c1-3-11(13)8(2)9-5-4-6-10(12)7-9/h4-8H,3H2,1-2H3
InChI Key:
AUKZQJQOAAZMSB-UHFFFAOYSA-N
SMILES:
CCC(=O)C(c1cccc(c1)Br)C
Properties
Complexity:
179  
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:
3  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties