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5-(4-chlorophenyl)-4-ethyl-2-methyl-1,2,4-triazol-3-one

5-(4-chlorophenyl)-4-ethyl-2-methyl-1,2,4-triazol-3-one structure

CAS No:
116114-14-8
Formula:
C11H12ClN3O
Chemical Name:
5-(4-chlorophenyl)-4-ethyl-2-methyl-1,2,4-triazol-3-one

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5-(4-chlorophenyl)-4-ethyl-2-methyl-1,2,4-triazol-3-one Basic Attributes

Molecular Weight：

237.68500

Exact Mass：

237.0668897 g/mol

UNII：

6S2K4J17Q5

DSSTox ID：

DTXSID20151280

Characteristics

PSA：

39.82000

XLogP3：

1.92210

Density：

1.29g/cm3

Boiling Point：

308.1ºC at 760mmHg

Flash Point：

140.1ºC

Refractive Index：

1.615

Vapor Pressure：

0.000697mmHg at 25°C

Drug Information

MeSH Entry Terms：

3H-1,2,4-Triazol-3-one, 5-(4-chlorophenyl)-4-ethyl-2,4-dihydro-2-methyl-

Computed Properties

Molecular Weight:237.68
XLogP3:2.2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:237.0668897
Monoisotopic Mass:237.0668897
Topological Polar Surface Area:35.9
Heavy Atom Count:16
Complexity:310
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-(4-chlorophenyl)-4-ethyl-2-methyl-1,2,4-triazol-3-one

Basic Attributes
Characteristics
Drug Information
Computed Properties

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