2,4,6-Trinitrophenylacetic acid

HCID 329464
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Basic information

CAS
77601-83-3
Standard SMILES
O=C(O)Cc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIKey
NECAHMOLCOTMNH-UHFFFAOYSA-N
Molecular formula
C8H5N3O8
Average molar mass
271.14 g/mol
Monoisotopic mass
271.00766412

Names & identifiers

Preferred name
2,4,6-Trinitrophenylacetic acid
IUPAC
2-(2,4,6-trinitrophenyl)acetic acid

Names & synonyms

2,4,6-Trinitrophenylacetic acid77601-83-3DTXSID40317189RefChem:245871DTXCID702683122-(2,4,6-trinitrophenyl)acetic acid(2,4,6-trinitrophenyl)acetic acidNSC312454SCHEMBL9292425NECAHMOLCOTMNH-UHFFFAOYSA-NSTK664281AKOS001727039
Show more names
NSC-312454SR-01000090580SR-01000090580-1

Database identifiers

CAS
77601-83-3
PubChem CID
329464
DTXSID
DTXSID40317189
Nikkaji
J1.448.143E

Properties

Computed structural properties

XLogP
0.7
Topological polar surface area
175 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
8
Rotatable bonds
2
Heavy atoms
19

Related reactions

2 records
New reaction record

Compound notes

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