Chem
J-GLOBAL ID:201107011452914492
Nikkaji number:J2.946.117A
4-(2,2-Difluoro-3-cyclooctyne-1-ylmethyl)benzoic acid
4-(2,2-ジフルオロ-3-シクロオクチン-1-イルメチル)安息香酸
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Substance type:
Substance type
Substance type classified into 3 categories. Decided structure: Substances with a clear structure Undicided Structure: Substances with unknown or undetermined structure Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula:
C16 H16 F2 O2
Molecular formula furigana:
C16-H16-F2-O2
Molecular weight:
278.299
InChI:
InChI=1S/C16H16F2O2/c17-16(18)10-4-2-1-3-5-14(16)11-12-6-8-13(9-7-12)15(19)20/h6-9,14H,1-3,5,11H2,(H,19,20)
InChI key:
QOCBRLNYKZCCPG-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(CC2CCCCC#CC2(F)F)cc1
Systematic name (4):
4-(3,3-ジフルオロ-1-シクロオクチン-4-イルメチル)安息香酸
4-(2,2-ジフルオロ-3-シクロオクチン-1-イルメチル)安息香酸
4-[(2,2-ジフルオロシクロオクタ-3-イン-1-イル)メチル]安息香酸
4-[(2,2-difluorocyclooct-3-yn-1-yl)methyl]benzoic acid
Other name (2):
4-(3,3-Difluoro-1-cyclooctyne-4-ylmethyl)benzoic acid
4-(2,2-Difluoro-3-cyclooctyne-1-ylmethyl)benzoic acid
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