Home Halogens 2-[(3-bromophenyl)methyl]-4-methoxybutanoic acid

2-[(3-bromophenyl)methyl]-4-methoxybutanoic acid

CAS No.:
1182757-92-1
Catalog Number:
AG01AKI4
Molecular Formula:
C12H15BrO3
Molecular Weight:
287.1497
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Product Description
Catalog Number:
AG01AKI4
Chemical Name:
2-[(3-bromophenyl)methyl]-4-methoxybutanoic acid
CAS Number:
1182757-92-1
Molecular Formula:
C12H15BrO3
Molecular Weight:
287.1497
MDL Number:
MFCD12152859
IUPAC Name:
2-[(3-bromophenyl)methyl]-4-methoxybutanoic acid
InChI:
InChI=1S/C12H15BrO3/c1-16-6-5-10(12(14)15)7-9-3-2-4-11(13)8-9/h2-4,8,10H,5-7H2,1H3,(H,14,15)
InChI Key:
YVHMMTQUCMUJMW-UHFFFAOYSA-N
SMILES:
COCCC(C(=O)O)Cc1cccc(c1)Br
Properties
Complexity:
220  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.02g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
287.153g/mol
Monoisotopic Mass:
286.02g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties