Home Other Building Blocks 2-Bromovaleric acid

2-Bromovaleric acid

CAS No.:
584-93-0
Catalog Number:
AG003GT6
Molecular Formula:
C5H9BrO2
Molecular Weight:
181.0278
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$13
- +
25g
98%
In Stock USA
United States
$32
- +
100g
98%
In Stock USA
United States
$94
- +
500g
98%
In Stock USA
United States
$382
- +
Product Description
Catalog Number:
AG003GT6
Chemical Name:
2-Bromovaleric acid
CAS Number:
584-93-0
Molecular Formula:
C5H9BrO2
Molecular Weight:
181.0278
MDL Number:
MFCD00004217
IUPAC Name:
2-bromopentanoic acid
InChI:
InChI=1S/C5H9BrO2/c1-2-3-4(6)5(7)8/h4H,2-3H2,1H3,(H,7,8)
InChI Key:
WMFATTFQNRPXBQ-UHFFFAOYSA-N
SMILES:
CCCC(C(=O)O)Br
EC Number:
209-546-6
NSC Number:
184
Properties
Complexity:
82.5  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.979g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
181.029g/mol
Monoisotopic Mass:
179.979g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Literature
Title Journal
Structure-activity relationships for aquatic toxicity to Tetrahymena: halogen-substituted aliphatic esters. Environmental toxicology 20010101
Properties