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(4R)-6-chloro-4-(2-cyclopropylethynyl)-2-(4-methoxyphenyl)-4-(trifluoromethyl)-1,2-dihydro-3,1-benzoxazine

(4R)-6-chloro-4-(2-cyclopropylethynyl)-2-(4-methoxyphenyl)-4-(trifluoromethyl)-1,2-dihydro-3,1-benzoxazine structure

CAS No:
209414-26-6
Formula:
C21H17ClF3NO2
Chemical Name:
(4R)-6-chloro-4-(2-cyclopropylethynyl)-2-(4-methoxyphenyl)-4-(trifluoromethyl)-1,2-dihydro-3,1-benzoxazine

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(4R)-6-chloro-4-(2-cyclopropylethynyl)-2-(4-methoxyphenyl)-4-(trifluoromethyl)-1,2-dihydro-3,1-benzoxazine Basic Attributes

Molecular Weight：

407.81300

Exact Mass：

407.0899910

DSSTox ID：

DTXSID00747322

Characteristics

PSA：

30.49000

XLogP3：

5.79850

Density：

1.407g/cm3

Boiling Point：

515.139ºC at 760 mmHg

Flash Point：

265.347ºC

Refractive Index：

1.602

Vapor Pressure：

0mmHg at 25°C

Computed Properties

Molecular Weight:407.8
XLogP3:5.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:407.0899910
Monoisotopic Mass:407.0899910
Topological Polar Surface Area:30.5
Heavy Atom Count:28
Complexity:633
Defined Atom Stereocenter Count:1
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (4R)-6-chloro-4-(2-cyclopropylethynyl)-2-(4-methoxyphenyl)-4-(trifluoromethyl)-1,2-dihydro-3,1-benzoxazine

Basic Attributes
Characteristics
Computed Properties

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