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Home Carboxys tert-Butyl 6-nitro-3,4-dihydroisoquinoline-2(1H)-carboxylate

tert-Butyl 6-nitro-3,4-dihydroisoquinoline-2(1H)-carboxylate

CAS No.:
186390-79-4
Catalog Number:
AG00AOR1
Molecular Formula:
C14H18N2O4
Molecular Weight:
278.3037
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$70
- +
250mg
95%
In Stock USA
United States
$126
- +
1g
95%
In Stock USA
United States
$315
- +
Product Description
Catalog Number:
AG00AOR1
Chemical Name:
tert-Butyl 6-nitro-3,4-dihydroisoquinoline-2(1H)-carboxylate
CAS Number:
186390-79-4
Molecular Formula:
C14H18N2O4
Molecular Weight:
278.3037
MDL Number:
MFCD09864789
IUPAC Name:
tert-butyl 6-nitro-3,4-dihydro-1H-isoquinoline-2-carboxylate
InChI:
InChI=1S/C14H18N2O4/c1-14(2,3)20-13(17)15-7-6-10-8-12(16(18)19)5-4-11(10)9-15/h4-5,8H,6-7,9H2,1-3H3
InChI Key:
AKMALXRXYAFPLL-UHFFFAOYSA-N
SMILES:
O=C(N1CCc2c(C1)ccc(c2)[N+](=O)[O-])OC(C)(C)C
Properties
Complexity:
386  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.127g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.308g/mol
Monoisotopic Mass:
278.127g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
75.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties