CAS 88535-47-1 4-Nitro-1,2,3,6,7,8-hexahydropyrene

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4-Nitro-1,2,3,6,7,8-hexahydropyrene

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Catalog Number

ACM88535471

CAS Number

88535-47-1

Product Name

4-Nitro-1,2,3,6,7,8-hexahydropyrene

Category

Small Molecule Semiconductor Building Blocks; Semiconductor Blocks

IUPAC Name

4-nitro-1,2,3,6,7,8-hexahydropyrene

Molecular Weight

253.3

Molecular Formula

C16H15NO2

Canonical SMILES

C1CC2=C3C(=CC(=C4C3=C(CCC4)C=C2)[N+](=O)[O-])C1

InChI

InChI=1S/C16H15NO2/c18-17(19)14-9-12-5-1-3-10-7-8-11-4-2-6-13(14)16(11)15(10)12/h7-9H,1-6H2

InChI Key

KVZSMBRWPWEQHJ-UHFFFAOYSA-N

Melting Point

92 °C

Purity

>98.0%(HPLC)(N)

Appearance

White to Yellow to Green powder to crystal

Complexity

377

Covalently-Bonded Unit Count

Exact Mass

253.110279g/mol

Formal Charge

Heavy Atom Count

MDL Number

MFCD27964325

Monoisotopic Mass

253.110279g/mol

Rotatable Bond Count

XLogP3

4.7

MSDS

Download MSDS

COA

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Spec Sheet

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