HIT ID: HIT100355076
Cas No: 197520-71-1
分子式: C7H2F3NO4
分子量: 221.091
常用名: 2,3,4-Trifluoro-5-Nitro-Benzoic Acid
常用名: 2,3,4-Trifluoro-5-Nitro-Benzoic Acid
氢键受体数 (HBA): 4
氢键供体数 (HBD): 1
LogP: 1.9989187223333333
IUPAC: 2,3,4-trifluoro-5-nitrobenzoic acid
IUPAC: 2,3,4-trifluoro-5-nitrobenzoic acid
SMILES: OC(=O)c1cc(c(F)c(F)c1F)[N+]([O-])=O
SMILES: OC(=O)c1cc(c(F)c(F)c1F)[N+]([O-])=O
InChI key: BCMIOBTWFPSPJJ-UHFFFAOYSA-N