5-(Carbamoyl)-2,4,6-triiodoisophthalic acid

HCID 3018820

Basic information

CAS
79211-46-4
Standard SMILES
NC(=O)c1c(I)c(C(=O)O)c(I)c(C(=O)O)c1I
InChIKey
KHTGTPXXKOLMEH-UHFFFAOYSA-N
Molecular formula
C9H4I3NO5
Average molar mass
586.84 g/mol
Monoisotopic mass
586.72236623

Names & identifiers

Preferred name
5-(Carbamoyl)-2,4,6-triiodoisophthalic acid
IUPAC
5-carbamoyl-2,4,6-triiodobenzene-1,3-dicarboxylic acid
English name
5-(carbamoyl)-2,4,6-triiodoisophthalic acid
Molecular formula
C9H4I3NO5
Molecular weight
586.84517

Names & synonyms

5-(Carbamoyl)-2,4,6-triiodoisophthalic acid79211-46-4EINECS 279-113-4SCHEMBL9787543DTXSID2010003345-carbamoyl-2,4,6-triiodoisophthalic acid5-carbamoyl- 2,4,6-triiodoisophthalic acidNS000605145-[Hydroxy(imino)methyl]-2,4,6-triiodobenzene-1,3-dicarboxylic acid5-Acetamido-2,4,6-TriiodoisophthalicAcid5-(Aminocarbonyl)-2,4,6-triiodo-1,3-benzenedicarboxylic acid1,3-Benzenedicarboxylicacid, 5-(aminocarbonyl)-2,4,6-triiodo-

Database identifiers

CAS
79211-46-4
PubChem CID
3018820
DTXSID
DTXSID201000334
EC Number
279-113-4
Nikkaji
J319.246F

Properties

Computed structural properties

XLogP
1.8
Topological polar surface area
118 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
18

Chemistry & industry

Suppliers1 total

湖北玖天生物医药科技有限公司027-88013699 17354350817 · [email protected]

Related reactions

5 records

Compound notes

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