Home Halogens t-Butyl 3-bromobenzoate

t-Butyl 3-bromobenzoate

CAS No.:
69038-74-0
Catalog Number:
AG00FARX
Molecular Formula:
C11H13BrO2
Molecular Weight:
257.1237
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$19
- +
5g
96%
In Stock USA
United States
$63
- +
10g
96%
In Stock USA
United States
$107
- +
25g
96%
In Stock USA
United States
$225
- +
Product Description
Catalog Number:
AG00FARX
Chemical Name:
t-Butyl 3-bromobenzoate
CAS Number:
69038-74-0
Molecular Formula:
C11H13BrO2
Molecular Weight:
257.1237
MDL Number:
MFCD06657802
IUPAC Name:
tert-butyl 3-bromobenzoate
InChI:
InChI=1S/C11H13BrO2/c1-11(2,3)14-10(13)8-5-4-6-9(12)7-8/h4-7H,1-3H3
InChI Key:
NPVLZVSAZXTBSR-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)C(=O)OC(C)(C)C
EC Number:
614-908-5
NSC Number:
338413
Properties
Complexity:
208  
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:
4.2  
Properties