Home Halogens Pentanoic acid, 5-(4-bromophenoxy)-

Pentanoic acid, 5-(4-bromophenoxy)-

CAS No.:
87411-38-9
Catalog Number:
AG008DS3
Molecular Formula:
C11H13BrO3
Molecular Weight:
273.1231
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Product Description
Catalog Number:
AG008DS3
Chemical Name:
Pentanoic acid, 5-(4-bromophenoxy)-
CAS Number:
87411-38-9
Molecular Formula:
C11H13BrO3
Molecular Weight:
273.1231
MDL Number:
MFCD11192930
IUPAC Name:
5-(4-bromophenoxy)pentanoic acid
InChI:
InChI=1S/C11H13BrO3/c12-9-4-6-10(7-5-9)15-8-2-1-3-11(13)14/h4-7H,1-3,8H2,(H,13,14)
InChI Key:
KACNEIIGTGEGPZ-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCOc1ccc(cc1)Br
Properties
Complexity:
188  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.005g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
273.126g/mol
Monoisotopic Mass:
272.005g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties