Home Halogens 2-(4-bromophenoxy)-3-methylbutanoic acid

2-(4-bromophenoxy)-3-methylbutanoic acid

CAS No.:
63403-28-1
Catalog Number:
AG019VFJ
Molecular Formula:
C11H13BrO3
Molecular Weight:
273.1231
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Product Description
Catalog Number:
AG019VFJ
Chemical Name:
2-(4-bromophenoxy)-3-methylbutanoic acid
CAS Number:
63403-28-1
Molecular Formula:
C11H13BrO3
Molecular Weight:
273.1231
MDL Number:
MFCD09708912
IUPAC Name:
2-(4-bromophenoxy)-3-methylbutanoic acid
InChI:
InChI=1S/C11H13BrO3/c1-7(2)10(11(13)14)15-9-5-3-8(12)4-6-9/h3-7,10H,1-2H3,(H,13,14)
InChI Key:
DQIKXUAKDQUKRP-UHFFFAOYSA-N
SMILES:
CC(C(C(=O)O)Oc1ccc(cc1)Br)C
Properties
Complexity:
210  
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:
4  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Properties