Home Halogens 2-[(2-bromophenyl)methyl]butanoic acid

2-[(2-bromophenyl)methyl]butanoic acid

CAS No.:
66192-00-5
Catalog Number:
AG019ZMF
Molecular Formula:
C11H13BrO2
Molecular Weight:
257.1237
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Product Description
Catalog Number:
AG019ZMF
Chemical Name:
2-[(2-bromophenyl)methyl]butanoic acid
CAS Number:
66192-00-5
Molecular Formula:
C11H13BrO2
Molecular Weight:
257.1237
MDL Number:
MFCD12152877
IUPAC Name:
2-[(2-bromophenyl)methyl]butanoic acid
InChI:
InChI=1S/C11H13BrO2/c1-2-8(11(13)14)7-9-5-3-4-6-10(9)12/h3-6,8H,2,7H2,1H3,(H,13,14)
InChI Key:
OVAGFYDXXAKLHT-UHFFFAOYSA-N
SMILES:
CCC(C(=O)O)Cc1ccccc1Br
Properties
Complexity:
194  
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:
4  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties