CAS 1072855-75-4 6-((2,2,2-Trifluoroethoxy)methyl)nicotinic acid (HCID 53418112)

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Basic information

CAS: 1072855-75-4
Standard SMILES: O=C(O)c1ccc(COCC(F)(F)F)nc1
InChIKey: AUWUWABHYBRQEE-UHFFFAOYSA-N
Molecular formula: C9H8F3NO3
Average molar mass: 235.16 g/mol
Monoisotopic mass: 235.0456276

Names & identifiers

Preferred name: 6-((2,2,2-Trifluoroethoxy)methyl)nicotinic acid
IUPAC: 6-(2,2,2-trifluoroethoxymethyl)pyridine-3-carboxylic acid
English name: 6-[(2,2,2-Trifluoroethoxy)methyl]nicotinic acid
Molecular formula: C9H8F3NO3
Molecular weight: 235.16

Names & synonyms

6-((2,2,2-Trifluoroethoxy)methyl)nicotinic acid1072855-75-46-(2,2,2-trifluoroethoxymethyl)pyridine-3-carboxylic acid6-[(2,2,2-TRIFLUOROETHOXY)METHYL]NICOTINIC ACID6-[(2,2,2-Trifluoroethoxy)methyl]pyridine-3-carboxylic acid6-((2,2,2-Trifluoroethoxy)methyl)nicotinicacidSCHEMBL841768DTXSID50697388AKOS016006489CS-03672123-Pyridinecarboxylic acid, 6-(2,2,2-trifluoroethoxy)Methyl-

Database identifiers

CAS: 1072855-75-4
PubChem CID: 53418112
DTXSID: DTXSID50697388

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 59.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 4
Heavy atoms: 16
Formal charge: 0
Complexity: 245

Physicochemical properties

storage temp.: 2 · 2-8°C

Chemistry & industry

Suppliers9 total

杭州品高化工有限公司0571-87658025 · [email protected]

Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]

西安瑞联新材料股份有限公司029-68669089-8816

西安乐纯化工有限责任公司029-15596886083 15596886083 · [email protected]

江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]

Related reactions

1 records

New reaction record

HRID 1099460As productuspto-grants-2012_03

Compound notes

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