6-Iodo-2-nitrophenyl acetic acid

HCID 14740974
NotesReactions

Completing data — usually done within a minute

Substructure searchFind similar structures

Basic information

CAS
37777-75-6
Standard SMILES
O=C(O)Cc1c(I)cccc1[N+](=O)[O-]
InChIKey
ZRJHJMLUSIFXFC-UHFFFAOYSA-N
Molecular formula
C8H6INO4
Average molar mass
307.04 g/mol
Monoisotopic mass
306.93415567

Names & identifiers

Preferred name
6-Iodo-2-nitrophenyl acetic acid
IUPAC
2-(2-iodo-6-nitrophenyl)acetic acid

Names & synonyms

6-Iodo-2-nitrophenyl acetic acid37777-75-6(2-Iodo-6-nitrophenyl)acetic acid2-(2-iodo-6-nitrophenyl)acetic acidSCHEMBL3135091DTXSID70563490ZRJHJMLUSIFXFC-UHFFFAOYSA-N(2-iodo-6-nitro-phenyl)-acetic acid

Database identifiers

CAS
37777-75-6
PubChem CID
14740974
DTXSID
DTXSID70563490

Properties

Computed structural propertiesFilling in

XLogP
1.9
Topological polar surface area
83.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
14

Related reactions

3 records
New reaction record

Compound notes

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