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5-nitro-3H-1,3-benzoxazole-2-thione

5-nitro-3H-1,3-benzoxazole-2-thione structure

CAS No:
22876-21-7
Formula:
C7H4N2O3S
Chemical Name:
5-nitro-3H-1,3-benzoxazole-2-thione
Synonyms:
5-nitro-3H-benzooxazole-2-thione; 5-nitro-3H-benzoxazole-2-thione; 5-nitro-1,3-benzoxazole-2-thiol; 5-Nitro-3H-benzoxazol-2-thion; 5-nitrobenzoxazolo-2-thione; 5-nitrobenzoxazoline-2-thione; 4-nitro-1,3-benzoaxazolidine-2-thione;Expand

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5-nitro-3H-1,3-benzoxazole-2-thione Basic Attributes

Molecular Weight：

196.18300

Exact Mass：

195.99426317 g/mol

DSSTox ID：

DTXSID80354896

HScode：

2934999090

Characteristics

PSA：

110.65000

XLogP3：

2.54790

Density：

1.65g/cm3

Boiling Point：

326.7ºC at 760mmHg

Flash Point：

151.4ºC

Refractive Index：

1.741

Vapor Pressure：

0.000213mmHg at 25°C

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:99.2
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-benzoxazole-2-thione

Basic Attributes
Characteristics
Computed Properties

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