Home Halogens 2-bromo-5-methylhexanoic acid

2-bromo-5-methylhexanoic acid

CAS No.:
56256-78-1
Catalog Number:
AG01C17W
Molecular Formula:
C7H13BrO2
Molecular Weight:
209.0809
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Product Description
Catalog Number:
AG01C17W
Chemical Name:
2-bromo-5-methylhexanoic acid
CAS Number:
56256-78-1
Molecular Formula:
C7H13BrO2
Molecular Weight:
209.0809
MDL Number:
MFCD07780186
IUPAC Name:
2-bromo-5-methylhexanoic acid
InChI:
InChI=1S/C7H13BrO2/c1-5(2)3-4-6(8)7(9)10/h5-6H,3-4H2,1-2H3,(H,9,10)
InChI Key:
HZEKQLIVUNAHRJ-UHFFFAOYSA-N
SMILES:
BrC(C(=O)O)CCC(C)C
Properties
Complexity:
112  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.01g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
209.083g/mol
Monoisotopic Mass:
208.01g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties