Basic information
- CAS
22813-32-7- Standard SMILES
O=C(O)Cn1ccnc1[N+](=O)[O-]- InChIKey
TYDGDUVFDYKZMY-UHFFFAOYSA-N- Molecular formula
- C5H5N3O4
- Average molar mass
- 171.11 g/mol
- Monoisotopic mass
- 171.02800564
Names & identifiers
- Preferred name
- 2-(2-Nitroimidazol-1-yl)acetic acid
- IUPAC
- 2-(2-nitroimidazol-1-yl)acetic acid
- English name
- 2-(2-NitroiMidazol-1-yl)acetic acid
- Molecular formula
- C5H5N3O4
- Molecular weight
- 171.1109
Names & synonyms
22813-32-72-(2-Nitroimidazol-1-yl)acetic acidDTXSID20316397RefChem:1060924DTXCID502675202-(2-Nitro-1H-imidazol-1-yl)acetic acidMFCD12022607NSC302988MLS003115771NSC-3029881H-Imidazole-1-acetic acid, 2-nitro-NCIStruc1_000016
Show more names
2-(2-nitroimidazol-1-yl)aceticaci
NCIStruc2_000181SCHEMBL3914305CHEMBL1741825TYDGDUVFDYKZMY-UHFFFAOYSA-NXAA81332(2-nitro-imidazol-1-yl)acetic acidCCG-38321NCGC00014673
Database identifiers
- CAS
22813-32-7- PubChem CID
- 327544
- DTXSID
DTXSID20316397- ChEMBL
CHEMBL1741825
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 201
Experimental & physicochemical properties
LogP-0.34
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers23 total
上海康恩博医药科技有限公司17510465506 · [email protected]
Aladdin Scientific[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
金克隆（北京）生物技术有限公司400-910-1997 15330005590 · [email protected]
上海谱振生物科技有限公司4001650900 13817534909 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
上海书亚医药科技有限公司400-685-9117 · [email protected]
上海睿升化工科技有限公司15026594951 · [email protected]
苏州斯凯诺森生物科技有限公司19951323309 · [email protected]
Related reactions
13 records
Compound notes
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