Basic information
- CAS
136819-59-5- Standard SMILES
O=C(O)c1cccc(N=Nc2ccccc2)c1O- InChIKey
FHRKQIBIGIQUCC-UHFFFAOYSA-N- Molecular formula
- C13H10N2O3
- Average molar mass
- 242.23 g/mol
- Monoisotopic mass
- 242.06914219
Names & identifiers
- Preferred name
- 2-Hydroxy-3-(phenyldiazenyl)benzoic acid
- IUPAC
- 2-hydroxy-3-phenyldiazenylbenzoic acid
- English name
- Benzoic acid, 2-hydroxy-3-(2-phenyldiazenyl)-
- Molecular formula
- C13H10N2O3
- Molecular weight
- 242.23
Names & synonyms
136819-59-52-hydroxy-3-(phenyldiazenyl)benzoic acidNSC15820Mesalamine Impurity 39Mesalazine Impurity 31(E)-2-hydroxy-3-(phenyldiazenyl)benzoic acidKZU8L2Q446SCHEMBL10992403SCHEMBL21501069SCHEMBL31619348NSC 15820NSC-15820
Show more names
Mesalazine Impurity 062-Hydroxy-3-phenylazo-benzoicacid
2-Hydroxy-3-phenyldiazenylbenzoic acidBenzoic acid, 2-hydroxy-3-(phenylazo)-2-Hydroxy-3-(2-phenyldiazenyl)benzoic acidBenzoic acid, 2-hydroxy-3-(2-phenyldiazenyl)-
Database identifiers
- CAS
136819-59-5- PubChem CID
- 225930
- UNII
- KZU8L2Q446
- Nikkaji
- J438.085A
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 82.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 313
Physicochemical properties
- Boiling point
- 448.282 · 448.282±40.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.301 · 1.301±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 2.486 · 2.486±0.10(predicted)
Chemistry & industry
Suppliers14 total
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
北京康派森医药科技有限公司010-010-52878169 15801002657 · [email protected]
湖北扬信医药科技有限公司15347293736 · [email protected]
武汉壹加壹生物科技有限公司027-027-16602739303 16602739303 · [email protected]
坛墨质检科技股份有限公司19850211281 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
河南伊诺凯新材料有限公司15565215982 15565215982 · [email protected]
深圳晴天生物技术有限公司18823167005 18162969855 · [email protected]
常州翔龙医药科技有限公司18661161657 · [email protected]
雷丁科技0510-85629785 18013409632 · [email protected]
河南伊诺凯新材料有限公司17634273666 · [email protected]
佰美济华（河南）医药科技有限公司0371-88900765 18037465274 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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