Basic information
- CAS
23595-00-8- Standard SMILES
O=NN(c1cccc(C(F)(F)F)c1)c1ccccc1C(=O)O- InChIKey
BDCPSOSZLWKCJC-UHFFFAOYSA-N- Molecular formula
- C14H9F3N2O3
- Average molar mass
- 310.23 g/mol
- Monoisotopic mass
- 310.05652664
Names & identifiers
- Preferred name
- 1-(M-trifluoromethylphenyl)-N-nitrosoanthranilic acid
- IUPAC
- 2-[N-nitroso-3-(trifluoromethyl)anilino]benzoic acid
- English name
- Benzoic acid, 2-[nitroso[3-(trifluoromethyl)phenyl]amino]-
- Molecular formula
- C14H9F3N2O3
- Molecular weight
- 310.23
Names & synonyms
23595-00-81-(m-Trifluoromethylphenyl)-N-nitrosoanthranilic acidITF-6112-{nitroso[3-(trifluoromethyl)phenyl]amino}benzoic acidDTXSID501782432-(Nitroso(3-(trifluoromethyl)phenyl)amino)benzoic acidRefChem:74711DTXCID80100734Itf 611BRN 2819484Benzoic acid, 2-(nitroso(3-(trifluoromethyl)phenyl)amino)-Acido 1-(m-trifluorometilfenil)-N-nitroso antranilico [Italian]
Show more names
N-Nitroso Flufenamic AcidN-Nitroso-N-[3-(trifluoromethyl)phenyl]anthanilic acidFlufenamic Acid Impurity 30 (N-Nitroso Flufenamic Acid)Benzoic acid, 2-[nitroso[3-(trifluoromethyl)phenyl]amino]-
N-Nitroso-N-(alpha,alpha,alpha-trifluoro-m-tolyl)anthranilic acidAcido 1-(m-trifluorometilfenil)-N-nitroso antranilicoAnthranilic acid, N-nitroso-N-(alpha,alpha,alpha-trifluoro-m-tolyl)-
Database identifiers
- CAS
23595-00-8- PubChem CID
- 198014
- DTXSID
DTXSID50178243- Nikkaji
- J394.933H
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 70 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 417
Physicochemical properties
- Density
- 1.4393 · 1.4393 (estimate)
Chemistry & industry
Suppliers5 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
湖北扬信医药科技有限公司0714-3999001 19171453112 · [email protected]
TLC梯尔希（南京）药物研发有限公司18012923235 · [email protected]
TLC梯尔希（南京）药物研发有限公司18012923235 18012923235 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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