Basic information
- CAS
52386-94-4- Standard SMILES
O=C(O)CNC(=O)c1cccc(I)c1- InChIKey
JFJVYCLGHWPODH-UHFFFAOYSA-N- Molecular formula
- C9H8INO3
- Average molar mass
- 305.07 g/mol
- Monoisotopic mass
- 304.95489
Names & identifiers
- Preferred name
- Glycine, N-(3-iodobenzoyl)-
- IUPAC
- 2-[(3-iodobenzoyl)amino]acetic acid
- English name
- m-Iodohippurate
- Molecular formula
- C9H8INO3
- Molecular weight
- 305.07
Names & synonyms
m-Iodohippuric acidN-(3-Iodobenzoyl)glycineGlycine, N-(3-iodobenzoyl)-BRN 1967705HIPPURIC ACID, m-IODO-DTXSID802004002-09-00-00240 (Beilstein Handbook Reference)RefChem:143873DTXCID40122891Glycine, N-(3-iodobenzoyl)-(9CI)52386-94-42-[(3-iodobenzoyl)amino]acetic acid
Show more names
(m-Iodobenzoyl)aminoacetic acidm-Iodohippuric Acid (2-(3-iodobenzamido)acetic acid)
m-Iodohippurate(3-Iodobenzoyl)glycineGlycine, N-(3-iodobenzoyl)- (9CI)2-(3-iodobenzamido)acetic acidstarbld0037920Oprea1_353370Oprea1_577201orb1986011
Database identifiers
- CAS
52386-94-4- PubChem CID
- 40341
- DTXSID
DTXSID80200400- Nikkaji
- J59.839I
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 232
Experimental & physicochemical properties
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
LogP1.44
Chemistry & industry
Suppliers5 total
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
常州翔龙医药科技有限公司18915873328 18915873328 · [email protected]
郑州康弗辰医药科技有限公司18210788515; 18210788515 · [email protected]
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上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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