sales@angenesci.com
Login | Register
logo
Structures Search
Home Halogens tert-Butyl 4-bromo-6-hydroxy-1-oxo-3H-isoindole-2-carboxylate

tert-Butyl 4-bromo-6-hydroxy-1-oxo-3H-isoindole-2-carboxylate

CAS No.:
2055119-08-7
Catalog Number:
AG00I3WJ
Molecular Formula:
C13H14BrNO4
Molecular Weight:
328.1586
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%
In Stock USA
United States
$688
- +
1g
98%
In Stock USA
United States
$1875
- +
Product Description
Catalog Number:
AG00I3WJ
Chemical Name:
tert-Butyl 4-bromo-6-hydroxy-1-oxo-3H-isoindole-2-carboxylate
CAS Number:
2055119-08-7
Molecular Formula:
C13H14BrNO4
Molecular Weight:
328.1586
MDL Number:
MFCD30527655
IUPAC Name:
tert-butyl 7-bromo-5-hydroxy-3-oxo-1H-isoindole-2-carboxylate
InChI:
InChI=1S/C13H14BrNO4/c1-13(2,3)19-12(18)15-6-9-8(11(15)17)4-7(16)5-10(9)14/h4-5,16H,6H2,1-3H3
InChI Key:
MSVWZLFVZGNYCG-UHFFFAOYSA-N
SMILES:
Oc1cc(Br)c2c(c1)C(=O)N(C2)C(=O)OC(C)(C)C
Properties
Complexity:
393  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.011g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
328.162g/mol
Monoisotopic Mass:
327.011g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties