(E)-1-[2,3-dichloro-4-(2-nitro-l-pentenyl)phenoxy]cyclobutane-1-carboxylic acid

HCID 20135561
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Basic information

Standard SMILES
CCC/C(=C\c1ccc(OC2(C(=O)O)CCC2)c(Cl)c1Cl)[N+](=O)[O-]
InChIKey
IFRIZOYWIOIDDY-PKNBQFBNSA-N
Molecular formula
C16H17Cl2NO5
Average molar mass
374.2 g/mol
Monoisotopic mass
373.048378

Names & identifiers

Preferred name
(E)-1-[2,3-dichloro-4-(2-nitro-l-pentenyl)phenoxy]cyclobutane-1-carboxylic acid
IUPAC
1-[2,3-dichloro-4-[(E)-2-nitropent-1-enyl]phenoxy]cyclobutane-1-carboxylic acid

Names & synonyms

SCHEMBL9717529IFRIZOYWIOIDDY-PKNBQFBNSA-N(E)-1-[2,3-dichloro-4-(2-nitro-l-pentenyl)phenoxy]cyclobutane-1-carboxylic acid

Database identifiers

PubChem CID
20135561

Properties

Computed structural properties

XLogP
4.9
Topological polar surface area
92.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
24

Related reactions

1 records
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Compound notes

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