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O-propan-2-yl N-[4-chloro-3-(2-oxopropoxy)phenyl]carbamothioate

O-propan-2-yl N-[4-chloro-3-(2-oxopropoxy)phenyl]carbamothioate structure

CAS No:
165549-92-8
Formula:
C13H16ClNO3S
Chemical Name:
O-propan-2-yl N-[4-chloro-3-(2-oxopropoxy)phenyl]carbamothioate
Synonyms:
Carbamothioic acid,(4-chloro-3-(2-oxopropoxy)phenyl)-,O-(1-methylethyl) ester; (4-Chloro-3-(2-oxo-propoxy)-phenyl)-thiocarbamic acid O-isopropyl ester; UC33; Carbamothioic acid deriv.;

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O-propan-2-yl N-[4-chloro-3-(2-oxopropoxy)phenyl]carbamothioate Basic Attributes

Molecular Weight：

301.78900

Exact Mass：

301.0539422

Characteristics

PSA：

86.69000

XLogP3：

3.65010

Density：

1.277g/cm3

Boiling Point：

387ºC at 760mmHg

Flash Point：

187.8ºC

Refractive Index：

1.589

Vapor Pressure：

3.41E-06mmHg at 25°C

Computed Properties

Molecular Weight:301.79
XLogP3:3.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:301.0539422
Monoisotopic Mass:301.0539422
Topological Polar Surface Area:79.6
Heavy Atom Count:19
Complexity:325
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of O-propan-2-yl N-[4-chloro-3-(2-oxopropoxy)phenyl]carbamothioate

Basic Attributes
Characteristics
Computed Properties
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