Home Halogens Methyl 4-bromobutanoate

Methyl 4-bromobutanoate

CAS No.:
4897-84-1
Catalog Number:
AG00357F
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
$19
- +
100g
98%
In Stock USA
United States
$63
- +
500g
98%
In Stock USA
United States
$250
- +
Product Description
Catalog Number:
AG00357F
Chemical Name:
Methyl 4-bromobutanoate
CAS Number:
4897-84-1
Molecular Formula:
C5H9BrO2
Molecular Weight:
181.0278
MDL Number:
MFCD00041482
IUPAC Name:
methyl 4-bromobutanoate
InChI:
InChI=1S/C5H9BrO2/c1-8-5(7)3-2-4-6/h2-4H2,1H3
InChI Key:
QAWFLJGZSZIZHO-UHFFFAOYSA-N
SMILES:
COC(=O)CCCBr
EC Number:
225-523-3
Properties
Complexity:
72.8  
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:
0
Isotope Atom Count:
0
Molecular Weight:
181.029g/mol
Monoisotopic Mass:
179.979g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Literature
Title Journal
Methyl 4-[5-(4-fluoro-phen-yl)-4-(pyridin-4-yl)-1H-imidazol-2-ylsulfan-yl]butanoate. Acta crystallographica. Section E, Structure reports online 20080701
Properties