Benzoic acid, 2-iodosyl-4-nitro-

HCID 3714830
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Basic information

CAS
112391-34-1
Standard SMILES
O=Ic1cc([N+](=O)[O-])ccc1C(=O)O
InChIKey
FBADTBVXQIPLPP-UHFFFAOYSA-N
Molecular formula
C7H4INO5
Average molar mass
309.01 g/mol
Monoisotopic mass
308.91342023

Names & identifiers

Preferred name
Benzoic acid, 2-iodosyl-4-nitro-
IUPAC
2-iodosyl-4-nitrobenzoic acid

Names & synonyms

112391-34-1Benzoic acid, 2-iodosyl-4-nitro-DTXSID70395415RefChem:326917DTXCID603462742-iodosyl-4-nitrobenzoic acid2-iodosyl-4-nitro-benzoic AcidC7H4INO5SCHEMBL6183800FBADTBVXQIPLPP-UHFFFAOYSA-NMFCD00955925F182638

Database identifiers

CAS
112391-34-1
PubChem CID
3714830
DTXSID
DTXSID70395415
Nikkaji
J338.420I

Properties

Computed structural properties

XLogP
1.4
Topological polar surface area
100 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
1
Heavy atoms
14

Related reactions

2 records
New reaction record

Compound notes

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