Home Halogens tert-Butyl 6-bromo-1-oxo-3H-isoindole-2-carboxylate

tert-Butyl 6-bromo-1-oxo-3H-isoindole-2-carboxylate

CAS No.:
1817672-31-3
Catalog Number:
AG00I0BL
Molecular Formula:
C13H14BrNO3
Molecular Weight:
312.1592
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$188
- +
5g
98%
In Stock USA
United States
$563
- +
10g
98%
In Stock USA
United States
$938
- +
Product Description
Catalog Number:
AG00I0BL
Chemical Name:
tert-Butyl 6-bromo-1-oxo-3H-isoindole-2-carboxylate
CAS Number:
1817672-31-3
Molecular Formula:
C13H14BrNO3
Molecular Weight:
312.1592
MDL Number:
MFCD27937898
IUPAC Name:
tert-butyl 5-bromo-3-oxo-1H-isoindole-2-carboxylate
InChI:
InChI=1S/C13H14BrNO3/c1-13(2,3)18-12(17)15-7-8-4-5-9(14)6-10(8)11(15)16/h4-6H,7H2,1-3H3
InChI Key:
CKWIYOUAKWFBJR-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)C(=O)N(C2)C(=O)OC(C)(C)C
Properties
Complexity:
364  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.016g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.163g/mol
Monoisotopic Mass:
311.016g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties