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

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

CAS No.:
756870-02-7
Catalog Number:
AG019U5F
Molecular Formula:
C13H17BrO2
Molecular Weight:
285.1769
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Product Description
Catalog Number:
AG019U5F
Chemical Name:
2-[(3-bromophenyl)methyl]-4-methylpentanoic acid
CAS Number:
756870-02-7
Molecular Formula:
C13H17BrO2
Molecular Weight:
285.1769
MDL Number:
MFCD12152857
IUPAC Name:
2-[(3-bromophenyl)methyl]-4-methylpentanoic acid
InChI:
InChI=1S/C13H17BrO2/c1-9(2)6-11(13(15)16)7-10-4-3-5-12(14)8-10/h3-5,8-9,11H,6-7H2,1-2H3,(H,15,16)
InChI Key:
ITEGDFSRLXAEGQ-UHFFFAOYSA-N
SMILES:
CC(CC(C(=O)O)Cc1cccc(c1)Br)C
Properties
Complexity:
228  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.041g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
285.181g/mol
Monoisotopic Mass:
284.041g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1  
Properties