Home Halogens 3-bromo-5-tert-butylbenzoic acid

3-bromo-5-tert-butylbenzoic acid

CAS No.:
794465-45-5
Catalog Number:
AG0051UE
Molecular Formula:
C11H13BrO2
Molecular Weight:
257.1237
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$129
- +
250mg
95%
In Stock USA
United States
$239
- +
1g
95%
In Stock USA
United States
$569
- +
5g
95%
In Stock USA
United States
$1936
- +
Product Description
Catalog Number:
AG0051UE
Chemical Name:
3-bromo-5-tert-butylbenzoic acid
CAS Number:
794465-45-5
Molecular Formula:
C11H13BrO2
Molecular Weight:
257.1237
MDL Number:
MFCD07357307
IUPAC Name:
3-bromo-5-tert-butylbenzoic acid
InChI:
InChI=1S/C11H13BrO2/c1-11(2,3)8-4-7(10(13)14)5-9(12)6-8/h4-6H,1-3H3,(H,13,14)
InChI Key:
JWIWYJFPAQCUGT-UHFFFAOYSA-N
SMILES:
Brc1cc(cc(c1)C(C)(C)C)C(=O)O
Properties
Complexity:
220  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.01g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
257.127g/mol
Monoisotopic Mass:
256.01g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  
Properties