3-[2-Nitro-4-(trifluoromethyl)phenoxy]phenol

HCID 249972
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Basic information

CAS
71626-84-1
Standard SMILES
O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1cccc(O)c1
InChIKey
GRQREMUJQBFPQY-UHFFFAOYSA-N
Molecular formula
C13H8F3NO4
Average molar mass
299.2 g/mol
Monoisotopic mass
299.04054222

Names & identifiers

Preferred name
3-[2-Nitro-4-(trifluoromethyl)phenoxy]phenol
IUPAC
3-[2-nitro-4-(trifluoromethyl)phenoxy]phenol

Names & synonyms

3-[2-nitro-4-(trifluoromethyl)phenoxy]phenol71626-84-13-(2-Nitro-4-(trifluoromethyl)phenoxy)phenolNSC68885SCHEMBL11096630DTXSID90290478NSC-688853-(2-Nitro-4-trifluoromethylphenoxy)phenol

Database identifiers

CAS
71626-84-1
PubChem CID
249972
DTXSID
DTXSID90290478

Properties

Computed structural propertiesFilling in

XLogP
3.5
Topological polar surface area
75.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
2
Heavy atoms
21

Related reactions

1 records
New reaction record

Compound notes

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