4-Allyloxy-3-nitrobenzaldehyde

HCID 22401152CAS 125872-98-2
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Basic information

Standard SMILES
C=CCOc1ccc(C=O)cc1[N+](=O)[O-]
InChIKey
XBIIPYJTLJVXEK-UHFFFAOYSA-N
Molecular formula
C10H9NO4
Average molar mass
207.18 g/mol
Monoisotopic mass
207.05315777

Names & identifiers

Preferred name
4-Allyloxy-3-nitrobenzaldehyde
IUPAC
3-nitro-4-prop-2-enoxybenzaldehyde

Names & synonyms

125872-98-24-allyloxy-3-nitrobenzaldehydeSCHEMBL3065551XBIIPYJTLJVXEK-UHFFFAOYSA-NDTXSID601275412AKOS008950235DA-465703-Nitro-4-(2-propen-1-yloxy)benzaldehyde3-Nitro-4-[(prop-2-en-1-yl)oxy]benzaldehyde

Database identifiers

CAS
125872-98-2
PubChem CID
22401152
DTXSID
DTXSID601275412
Nikkaji
J1.538.168J

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
72.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
15

Related reactions

7 records
New reaction record

Linked notes

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