Home Halogens 2-[(4-bromophenyl)methyl]-6-methoxyhexanoic acid

2-[(4-bromophenyl)methyl]-6-methoxyhexanoic acid

CAS No.:
1917420-50-8
Catalog Number:
AG01DW3E
Molecular Formula:
C14H19BrO3
Molecular Weight:
315.2029
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Product Description
Catalog Number:
AG01DW3E
Chemical Name:
2-[(4-bromophenyl)methyl]-6-methoxyhexanoic acid
CAS Number:
1917420-50-8
Molecular Formula:
C14H19BrO3
Molecular Weight:
315.2029
MDL Number:
MFCD26329744
IUPAC Name:
2-[(4-bromophenyl)methyl]-6-methoxyhexanoic acid
InChI:
InChI=1S/C14H19BrO3/c1-18-9-3-2-4-12(14(16)17)10-11-5-7-13(15)8-6-11/h5-8,12H,2-4,9-10H2,1H3,(H,16,17)
InChI Key:
COGZOKGCBVGTHF-UHFFFAOYSA-N
SMILES:
COCCCCC(C(=O)O)Cc1ccc(cc1)Br
Properties
Complexity:
237  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.052g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
315.207g/mol
Monoisotopic Mass:
314.052g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties