4-Methoxycarbonyl-3-nitrophenyl isothiocyanate

HCID 86014591
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Basic information

Standard SMILES
COC(=O)c1ccc(N=C=S)cc1[N+](=O)[O-]
InChIKey
ZFDOPUXUVXPLEQ-UHFFFAOYSA-N
Molecular formula
C9H6N2O4S
Average molar mass
238.22 g/mol

Names & identifiers

Preferred name
4-Methoxycarbonyl-3-nitrophenyl isothiocyanate
IUPAC
methyl 4-isothiocyanato-2-nitrobenzoate

Names & synonyms

SCHEMBL1483319ZFDOPUXUVXPLEQ-UHFFFAOYSA-N4-methoxycarbonyl-3-nitrophenyl isothiocyanate

Database identifiers

PubChem CID
86014591

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
117 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
3
Heavy atoms
16

Related reactions

6 records
New reaction record

Linked notes

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