Chem
J-GLOBAL ID：201307001260280235
Nikkaji number：J3.133.627I
1,3,5,7-Tetramethyl-2-iodo-4,4-difluoro-8-(4-methoxyphenyl)-3a-azonia-4a-aza-4-bora(IV)-s-indacene
1,3,5,7-テトラメチル-2-ヨード-4,4-ジフルオロ-8-(4-メトキシフェニル)-3a-アゾニア-4a-アザ-4-ボラ(IV)-s-インダセン
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
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
Molecular formula： C20H20BF2IN[N+]O
Molecular formula furigana： C20-H20-B-F2-I-N2-O
Molecular weight： 480.100
InChI：
InChI=1S/C20H20BF2IN2O/c1-11-10-12(2)25-19(11)17(15-6-8-16(27-5)9-7-15)20-13(3)18(24)14(4)26(20)21(25,22)23/h6-10H,1-5H3/q+1
InChI key：
JFJNMIJBSBOANX-UHFFFAOYSA-N
SMILES：
COc1ccc(cc1)C1=C2C(=C(I)C(=[N+]2[B](F)(F)n2c(C)cc(C)c12)C)C
Systematic name (3)：
- 1,3,5,7-テトラメチル-2-ヨード-4,4-ジフルオロ-8-(4-メトキシフェニル)-3a-アゾニア-4a-アザ-4-ボラ(IV)-s-インダセン
- 2,2-ジフルオロ-11-ヨード-8-(4-メトキシフェニル)-4,6,10,12-テトラメチル-1λ5,3-ジアザ-2λ4-ボラトリシクロ[7.3.0.03,7]ドデカ-1(12),4,6,8,10-ペンタエン-1-イリウム
- 2,2-difluoro-11-iodo-8-(4-methoxyphenyl)-4,6,10,12-tetramethyl-1λ5,3-diaza-2λ4-boratricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-1-ylium
- 1,3,5,7-Tetramethyl-2-iodo-4,4-difluoro-8-(4-methoxyphenyl)-3a-azonia-4a-aza-4-bora(IV)-s-indacene
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