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ethyl 4-[2,5-dimethyl-3-(1,2,4-triazol-4-yliminomethyl)pyrrol-1-yl]benzoate

ethyl 4-[2,5-dimethyl-3-(1,2,4-triazol-4-yliminomethyl)pyrrol-1-yl]benzoate structure

CAS No:
6224-74-4
Formula:
C18H19N5O2
Chemical Name:
ethyl 4-[2,5-dimethyl-3-(1,2,4-triazol-4-yliminomethyl)pyrrol-1-yl]benzoate
Synonyms:
ethyl 4-[2,5-dimethyl-3-[(Z)-1,2,4-triazol-4-yliminomethyl]pyrrol-1-yl]benzoate;

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ethyl 4-[2,5-dimethyl-3-(1,2,4-triazol-4-yliminomethyl)pyrrol-1-yl]benzoate Basic Attributes

Molecular Weight：

337.37600

Exact Mass：

337.15387487 g/mol

DSSTox ID：

DTXSID40350157

Characteristics

PSA：

74.30000

XLogP3：

2.74450

Density：

1.23g/cm3

Boiling Point：

542.5ºC at 760 mmHg

Flash Point：

281.9ºC

Refractive Index：

1.623

Computed Properties

Molecular Weight:337.4
XLogP3:2.6
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:337.15387487
Monoisotopic Mass:337.15387487
Topological Polar Surface Area:74.3
Heavy Atom Count:25
Complexity:472
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of ethyl 4-[2,5-dimethyl-3-(1,2,4-triazol-4-yliminomethyl)pyrrol-1-yl]benzoate

Basic Attributes
Characteristics
Computed Properties
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