Home Other Building Blocks 3-Bromo-5-butoxybenzoic acid

3-Bromo-5-butoxybenzoic acid

CAS No.:
1228956-96-4
Catalog Number:
AG000JQL
Molecular Formula:
C11H13BrO3
Molecular Weight:
273.1231
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$100
- +
5g
98%
In Stock USA
United States
$300
- +
25g
98%
In Stock USA
United States
$900
- +
Product Description
Catalog Number:
AG000JQL
Chemical Name:
3-Bromo-5-butoxybenzoic acid
CAS Number:
1228956-96-4
Molecular Formula:
C11H13BrO3
Molecular Weight:
273.1231
MDL Number:
MFCD16618945
IUPAC Name:
3-bromo-5-butoxybenzoic acid
InChI:
InChI=1S/C11H13BrO3/c1-2-3-4-15-10-6-8(11(13)14)5-9(12)7-10/h5-7H,2-4H2,1H3,(H,13,14)
InChI Key:
FSCCOARBZOWPJV-UHFFFAOYSA-N
SMILES:
CCCCOc1cc(Br)cc(c1)C(=O)O
Properties
Complexity:
208  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.005g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
273.126g/mol
Monoisotopic Mass:
272.005g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties