2-(3-(1-(4-CARBOXY) BENZYL-3-METHYL-6-TRIFLUORO METHYL-2-BENZIMIDAZOLINYLIDENE) PROPENYL)-3-METHYL-1-(4-CARBOXY) BENZYL-6-TRIFLUOROMETHYL BENZIMIDAZOLIUM HYDROXIDE, INNER SALT
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2-(3-(1-(4-CARBOXY) BENZYL-3-METHYL-6-TRIFLUORO METHYL-2-BENZIMIDAZOLINYLIDENE) PROPENYL)-3-METHYL-1-(4-CARBOXY) BENZYL-6-TRIFLUOROMETHYL BENZIMIDAZOLIUM HYDROXIDE, INNER SALT
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CAS No:
63815-74-7
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Formula:
C37H28F6N4O4
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Chemical Name:
2-(3-(1-(4-CARBOXY) BENZYL-3-METHYL-6-TRIFLUORO METHYL-2-BENZIMIDAZOLINYLIDENE) PROPENYL)-3-METHYL-1-(4-CARBOXY) BENZYL-6-TRIFLUOROMETHYL BENZIMIDAZOLIUM HYDROXIDE, INNER SALT
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Synonyms:
1H-Benzimidazolium,3-[(4-carboxyphenyl)methyl]-2-[3-[3-[(4-carboxyphenyl)methyl]-1,3-dihydro-1-methyl-5-(trifluoromethyl)-2H-benzimidazol-2-ylidene]-1-propen-1-yl]-1-methyl-5-(trifluoromethyl)-,inner salt;1H-Benzimidazolium,3-[(4-carboxyphenyl)methyl]-2-[3-[3-[(4-carboxyphenyl)methyl]-1,3-dihydro-1-methyl-5-(trifluoromethyl)-2H-benzimidazol-2-ylidene]-1-propenyl]-1-methyl-5-(trifluoromethyl)-,inner salt
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CAS No:
2-(3-(1-(4-CARBOXY) BENZYL-3-METHYL-6-TRIFLUORO METHYL-2-BENZIMIDAZOLINYLIDENE) PROPENYL)-3-METHYL-1-(4-CARBOXY) BENZYL-6-TRIFLUOROMETHYL BENZIMIDAZOLIUM HYDROXIDE, INNER SALT Basic Attributes
706.63
706.201474
Computed Properties
Molecular Weight:706.6
XLogP3:8.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:7
Exact Mass:706.20147436
Monoisotopic Mass:706.20147436
Topological Polar Surface Area:92.7
Heavy Atom Count:51
Complexity:1300
Defined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
2-(3-(1-(4-CARBOXY) BENZYL-3-METHYL-6-TRIFLUORO METHYL-2-BENZIMIDAZOLINYLIDENE) PROPENYL)-3-METHYL-1-(4-CARBOXY) BENZYL-6-TRIFLUOROMETHYL BENZIMIDAZOLIUM HYDROXIDE, INNER SALT
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