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5-nitro-3H-1,3-benzothiazol-2-one

5-nitro-3H-1,3-benzothiazol-2-one structure

CAS No:
62386-22-5
Formula:
C7H4N2O3S
Chemical Name:
5-nitro-3H-1,3-benzothiazol-2-one
Synonyms:
5-Nitrobenzo[d]thiazol-2(3H)-one;62386-22-5;5-nitro-3H-1,3-benzothiazol-2-one;2(3H)-Benzothiazolone, 5-nitro-;DTXSID80342157;Benzothiazol, 2-hydroxy-5-nitro-;ZINC974651;5-Nitro-1,3-benzothiazol-2-ol #;ANW-70167;AKOS006327515;5-Nitro-1,3-benzothiazol-2(3H)-one;2(3H)-Benzothiazolone,5-nitro-(9CI);5-nitro-2,3-dihydro-1,3-benzothiazol-2-one

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5-nitro-3H-1,3-benzothiazol-2-one Basic Attributes

Molecular Weight：

196.19 g/mol

Exact Mass：

195.99426317 g/mol

DSSTox ID：

DTXSID80342157

Characteristics

PSA：

100 Å²

Safety Information

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:196.19
XLogP3:1.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Exact Mass:195.99426317
Monoisotopic Mass:195.99426317
Topological Polar Surface Area:100
Heavy Atom Count:13
Complexity:253
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-nitro-3H-1,3-benzothiazol-2-one

Basic Attributes
Characteristics
Safety Information
Computed Properties

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