8-AZABICYCLO[3.2.1]OCTANE-2-CARBOXYLIC ACID, 8-(3-FLUOROPROPYL)-3-(4-IODOPHENYL)-, METHYL ESTER (1R,2S,3S,5S)-
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![8-AZABICYCLO[3.2.1]OCTANE-2-CARBOXYLIC ACID, 8-(3-FLUOROPROPYL)-3-(4-IODOPHENYL)-, METHYL ESTER (1R,2S,3S,5S)- structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/0ff736efe2b842babfab505c9fb1cce2.png "8-AZABICYCLO[3.2.1]OCTANE-2-CARBOXYLIC ACID, 8-(3-FLUOROPROPYL)-3-(4-IODOPHENYL)-, METHYL ESTER (1R,2S,3S,5S)-")
8-AZABICYCLO[3.2.1]OCTANE-2-CARBOXYLIC ACID, 8-(3-FLUOROPROPYL)-3-(4-IODOPHENYL)-, METHYL ESTER (1R,2S,3S,5S)-
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CAS No:
155797-99-2
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Formula:
C18H23FINO2
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Chemical Name:
8-AZABICYCLO[3.2.1]OCTANE-2-CARBOXYLIC ACID, 8-(3-FLUOROPROPYL)-3-(4-IODOPHENYL)-, METHYL ESTER (1R,2S,3S,5S)-
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Synonyms:
8-AZABICYCLO[3.2.1]OCTANE-2-CARBOXYLIC ACID, 8-(3-FLUOROPROPYL)-3-(4-IODOPHENYL)-, METHYL ESTER (1R,2S,3S,5S)-;BETA-CIT-FP;CITFP;RTI 313;N-2-FLUOROPROPYL-3-BETA-(4-IODOPHENYL)NORTROPANE-2-BETA-CARBOXYLIC ACID METHYL ESTER;2-carbomethoxy-8-(3-fluoropropyl)-3-(4-iodophenyl)tropane;CITFP, beta-CIT-FP;8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 8-(3-fluoropropyl)-3-(4-iodophenyl)-, methyl ester, (1R,2S,3S,5S)-
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CAS No:
8-AZABICYCLO[3.2.1]OCTANE-2-CARBOXYLIC ACID, 8-(3-FLUOROPROPYL)-3-(4-IODOPHENYL)-, METHYL ESTER (1R,2S,3S,5S)- Basic Attributes
431.28
431.076
Characteristics
29.5
4
Colourless or yellowish crystal
1.45g/cm3
446.7ºC at 760mmHg
224ºC
1.561
3.57E-08mmHg at 25°C
Computed Properties
Molecular Weight:431.3
XLogP3:4
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:431.07575
Monoisotopic Mass:431.07575
Topological Polar Surface Area:29.5
Heavy Atom Count:23
Complexity:414
Defined Atom Stereocenter Count:3
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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8-AZABICYCLO[3.2.1]OCTANE-2-CARBOXYLIC ACID, 8-(3-FLUOROPROPYL)-3-(4-IODOPHENYL)-, METHYL ESTER (1R,2S,3S,5S)-
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