Home Halogens Methyl 3-bromo-5-isopropylbenzoate

Methyl 3-bromo-5-isopropylbenzoate

CAS No.:
1824056-61-2
Catalog Number:
AG00I1D2
Molecular Formula:
C11H13BrO2
Molecular Weight:
257.1237
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$213
- +
5g
98%
In Stock USA
United States
$637
- +
Product Description
Catalog Number:
AG00I1D2
Chemical Name:
Methyl 3-bromo-5-isopropylbenzoate
CAS Number:
1824056-61-2
Molecular Formula:
C11H13BrO2
Molecular Weight:
257.1237
MDL Number:
MFCD28053777
IUPAC Name:
methyl 3-bromo-5-propan-2-ylbenzoate
InChI:
InChI=1S/C11H13BrO2/c1-7(2)8-4-9(11(13)14-3)6-10(12)5-8/h4-7H,1-3H3
InChI Key:
ISLRAJZRPPGMFE-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(cc(c1)Br)C(C)C
Properties
Complexity:
204  
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:
0
Isotope Atom Count:
0
Molecular Weight:
257.127g/mol
Monoisotopic Mass:
256.01g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Properties