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5-(Methylsulfonyl)-6-nitro-2(3H)-benzoxazolone

5-(Methylsulfonyl)-6-nitro-2(3H)-benzoxazolone structure

CAS No:
31770-95-3
Formula:
C8H6N2O6S
Chemical Name:
5-(Methylsulfonyl)-6-nitro-2(3H)-benzoxazolone
Synonyms:
2(3H)-Benzoxazolone,5-(methylsulfonyl)-6-nitro-;2-Benzoxazolinone,5-(methylsulfonyl)-6-nitro-;5-(Methylsulfonyl)-6-nitro-2(3H)-benzoxazolone

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5-(Methylsulfonyl)-6-nitro-2(3H)-benzoxazolone Basic Attributes

Molecular Weight：

258.21

Exact Mass：

258.21

EC Number：

250-795-5

UNII：

PVS5RED5CG

DSSTox ID：

DTXSID90185638

HScode：

2934999090

Characteristics

PSA：

134.34000

XLogP3：

2.03680

Density：

1.658±0.06 g/cm3

Melting Point：

264 °C (decomp)

Refractive Index：

1.614

PKA：

6.62±0.70

Computed Properties

Molecular Weight:258.21
XLogP3:0.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:1
Exact Mass:257.99465709
Monoisotopic Mass:257.99465709
Topological Polar Surface Area:127
Heavy Atom Count:17
Complexity:450
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-(Methylsulfonyl)-6-nitro-2(3H)-benzoxazolone

Basic Attributes
Characteristics
Computed Properties

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