 Home > Encyclopedia > 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid,2,2-dioxo-3-propan-2-yl-1H-2λ⁶,1,3-benzothiadiazin-4-one

5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid,2,2-dioxo-3-propan-2-yl-1H-2λ⁶,1,3-benzothiadiazin-4-one

5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid,2,2-dioxo-3-propan-2-yl-1H-2λ⁶,1,3-benzothiadiazin-4-one structure

CAS No:
86975-09-9
Formula:
C24H19ClF3N3O8S
Chemical Name:
5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid,2,2-dioxo-3-propan-2-yl-1H-2λ⁶,1,3-benzothiadiazin-4-one

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5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid,2,2-dioxo-3-propan-2-yl-1H-2λ⁶,1,3-benzothiadiazin-4-one Basic Attributes

Molecular Weight：

601.93600

Exact Mass：

601.0533479 g/mol

DSSTox ID：

DTXSID60236020

Characteristics

PSA：

167.21000

XLogP3：

7.64490

Boiling Point：

422.4ºC at 760 mmHg

Flash Point：

209.2ºC

Computed Properties

Molecular Weight:601.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:4
Exact Mass:601.0533479
Monoisotopic Mass:601.0533479
Topological Polar Surface Area:167
Heavy Atom Count:40
Complexity:869
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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Guide of 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid,2,2-dioxo-3-propan-2-yl-1H-2λ⁶,1,3-benzothiadiazin-4-one

Basic Attributes
Characteristics
Computed Properties

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5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid,2,2-dioxo-3-propan-2-yl-1H-2λ6,1,3-benzothiadiazin-4-one

5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid,2,2-dioxo-3-propan-2-yl-1H-2λ6,1,3-benzothiadiazin-4-one Basic Attributes

Characteristics

Computed Properties

5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid,2,2-dioxo-3-propan-2-yl-1H-2λ⁶,1,3-benzothiadiazin-4-one

5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid,2,2-dioxo-3-propan-2-yl-1H-2λ⁶,1,3-benzothiadiazin-4-one Basic Attributes