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2-(4-ethoxyphenyl)sulfanyl-3-(2-pyrrolidin-1-ium-1-ylethyl)-1H-benzimidazol-3-ium,2,4,6-trinitrophenolate

2-(4-ethoxyphenyl)sulfanyl-3-(2-pyrrolidin-1-ium-1-ylethyl)-1H-benzimidazol-3-ium,2,4,6-trinitrophenolate structure

CAS No:
13451-94-0
Formula:
C33H31N9O15S
Chemical Name:
2-(4-ethoxyphenyl)sulfanyl-3-(2-pyrrolidin-1-ium-1-ylethyl)-1H-benzimidazol-3-ium,2,4,6-trinitrophenolate
Synonyms:
2-(4-ethoxyphenyl)sulfanyl-3-(2-pyrrolidin-1-ium-1-ylethyl)-1H-benzimidazol-3-ium; 2-((p-Ethoxyphenyl)thio)-1-(2-(1-pyrrolidinyl)ethyl)benzimidazole dipicrate; BENZIMIDAZOLE,2-((p-ETHOXYPHENYL)THIO)-1-(2-(1-PYRROLIDINYL)ETHYL)-,DIPICRATE;

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2-(4-ethoxyphenyl)sulfanyl-3-(2-pyrrolidin-1-ium-1-ylethyl)-1H-benzimidazol-3-ium,2,4,6-trinitrophenolate Basic Attributes

Molecular Weight：

825.71600

Exact Mass：

825.16603249 g/mol

Characteristics

PSA：

370.97000

XLogP3：

9.99270

Boiling Point：

877.4ºC

Flash Point：

484.4ºC

Vapor Pressure：

1.79E-32mmHg at 25°C

Computed Properties

Molecular Weight:825.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:16
Rotatable Bond Count:7
Exact Mass:825.16603249
Monoisotopic Mass:825.16603249
Topological Polar Surface Area:380
Heavy Atom Count:58
Complexity:715
Covalently-Bonded Unit Count:3
Compound Is Canonicalized:Yes

Hot Searches: vanadium nitride; celite; nitrohydrochloric acid; ammonium carbonate formula; lithium nitride formula; 2 pentanol

Guide of 2-(4-ethoxyphenyl)sulfanyl-3-(2-pyrrolidin-1-ium-1-ylethyl)-1H-benzimidazol-3-ium,2,4,6-trinitrophenolate

Basic Attributes
Characteristics
Computed Properties

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