Home Halogens 2-[(3-bromophenyl)methyl]butanoic acid

2-[(3-bromophenyl)methyl]butanoic acid

CAS No.:
1183114-86-4
Catalog Number:
AG01AJAC
Molecular Formula:
C11H13BrO2
Molecular Weight:
257.1237
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Product Description
Catalog Number:
AG01AJAC
Chemical Name:
2-[(3-bromophenyl)methyl]butanoic acid
CAS Number:
1183114-86-4
Molecular Formula:
C11H13BrO2
Molecular Weight:
257.1237
MDL Number:
MFCD12152858
IUPAC Name:
2-[(3-bromophenyl)methyl]butanoic acid
InChI:
InChI=1S/C11H13BrO2/c1-2-9(11(13)14)6-8-4-3-5-10(12)7-8/h3-5,7,9H,2,6H2,1H3,(H,13,14)
InChI Key:
YZBRDESNLISRBT-UHFFFAOYSA-N
SMILES:
CCC(C(=O)O)Cc1cccc(c1)Br
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