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N-[2-chloro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]phenyl]methanesulfonamide

N-[2-chloro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]phenyl]methanesulfonamide structure

CAS No:
133762-99-9
Formula:
C13H11ClF3N3O4S
Chemical Name:
N-[2-chloro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]phenyl]methanesulfonamide
Synonyms:
Ro 42-1410; n-{2-chloro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-3,6-dihydropyrimidin-1(2h)-yl]phenyl}methanesulfonamide; Methanesulfonamide,N-(2-chloro-5-(3,6-dihydro-3-methyl-2,6-dioxo-4-(trifluoromethyl)-1(2H)-pyrimidinyl)phenyl);

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N-[2-chloro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]phenyl]methanesulfonamide Basic Attributes

Molecular Weight：

397.75700

Exact Mass：

397.0110892 g/mol

DSSTox ID：

DTXSID30158361

Characteristics

PSA：

98.55000

XLogP3：

2.73370

Density：

1.639g/cm3

Boiling Point：

463ºC

Flash Point：

233.8ºC

Refractive Index：

1.595

Vapor Pressure：

9.4E-09mmHg at 25°C

Computed Properties

Molecular Weight:397.76
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:3
Exact Mass:397.0110892
Monoisotopic Mass:397.0110892
Topological Polar Surface Area:95.2
Heavy Atom Count:25
Complexity:704
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of N-[2-chloro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]phenyl]methanesulfonamide

Basic Attributes
Characteristics
Computed Properties

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