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Home Carboxys tert-Butyl 5-nitroisoindoline-2-carboxylate

tert-Butyl 5-nitroisoindoline-2-carboxylate

CAS No.:
400727-63-1
Catalog Number:
AG00C782
Molecular Formula:
C13H16N2O4
Molecular Weight:
264.2771
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$47
- +
250mg
98%
In Stock USA
United States
$69
- +
1g
95%
In Stock USA
United States
$170
- +
5g
98%
In Stock USA
United States
$563
- +
10g
98%
In Stock USA
United States
$869
- +
Product Description
Catalog Number:
AG00C782
Chemical Name:
tert-Butyl 5-nitroisoindoline-2-carboxylate
CAS Number:
400727-63-1
Molecular Formula:
C13H16N2O4
Molecular Weight:
264.2771
MDL Number:
MFCD08236255
IUPAC Name:
tert-butyl 5-nitro-1,3-dihydroisoindole-2-carboxylate
InChI:
InChI=1S/C13H16N2O4/c1-13(2,3)19-12(16)14-7-9-4-5-11(15(17)18)6-10(9)8-14/h4-6H,7-8H2,1-3H3
InChI Key:
QKGLAXAXISGACQ-UHFFFAOYSA-N
SMILES:
O=C(N1Cc2c(C1)ccc(c2)[N+](=O)[O-])OC(C)(C)C
Properties
Complexity:
372  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.111g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.281g/mol
Monoisotopic Mass:
264.111g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
75.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties