Home Halogens 3-(3-bromophenyl)-3-methylbutanoic acid

3-(3-bromophenyl)-3-methylbutanoic acid

CAS No.:
42288-04-0
Catalog Number:
AG01BAVD
Molecular Formula:
C11H13BrO2
Molecular Weight:
257.1237
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Product Description
Catalog Number:
AG01BAVD
Chemical Name:
3-(3-bromophenyl)-3-methylbutanoic acid
CAS Number:
42288-04-0
Molecular Formula:
C11H13BrO2
Molecular Weight:
257.1237
MDL Number:
MFCD16330765
IUPAC Name:
3-(3-bromophenyl)-3-methylbutanoic acid
InChI:
InChI=1S/C11H13BrO2/c1-11(2,7-10(13)14)8-4-3-5-9(12)6-8/h3-6H,7H2,1-2H3,(H,13,14)
InChI Key:
VVQTXSQOEZFAHV-UHFFFAOYSA-N
SMILES:
OC(=O)CC(c1cccc(c1)Br)(C)C
Properties
Complexity:
213  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.01g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
257.127g/mol
Monoisotopic Mass:
256.01g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties