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tert-Butyl 7-nitro-3,4-dihydroisoquinoline-2(1H)-carboxylate - ≥95%, high purity , CAS No.171049-42-6

  • ≥95%
Item Number
T692150
Grouped product items
SKUSizeAvailabilityPrice Qty
T692150-250mg
250mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$191.90
T692150-1g
1g
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$382.90
T692150-5g
5g
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$1,446.90

Basic Description

Specifications & Purity≥95%

AI Insight

Names and Identifiers

IUPAC Name tert-butyl 7-nitro-3,4-dihydro-1H-isoquinoline-2-carboxylate
INCHI InChI=1S/C14H18N2O4/c1-14(2,3)20-13(17)15-7-6-10-4-5-12(16(18)19)8-11(10)9-15/h4-5,8H,6-7,9H2,1-3H3
InChi Key MUWKVARUMOGZBW-UHFFFAOYSA-N
Canonical SMILES CC(C)(C)OC(=O)N1CCC2=C(C1)C=C(C=C2)[N+](=O)[O-]
Isomeric SMILES CC(C)(C)OC(=O)N1CCC2=C(C1)C=C(C=C2)[N+](=O)[O-]
PubChem CID 6420695
Molecular Weight 278.3

Certificates(CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Chemical and Physical Properties

Molecular Weight278.300 g/mol
XLogP32.500
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass278.127 Da
Monoisotopic Mass278.127 Da
Topological Polar Surface Area75.400 Ų
Heavy Atom Count20
Formal Charge0
Complexity386.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1

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