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4-[(4-METHYLPHENYL)SULFONYL]-3-NITROBENZOICACID

4-[(4-METHYLPHENYL)SULFONYL]-3-NITROBENZOICACID structure

CAS No:
90352-45-7
Formula:
C14H11NO6S
Chemical Name:
4-[(4-METHYLPHENYL)SULFONYL]-3-NITROBENZOICACID
Synonyms:
4-[(4-methylphenyl)sulfonyl]-3-nitrobenzoic acid;Maybridge1_001578;Oprea1_647350;3-Nitro-4-tosylbenzoic acid;SCHEMBL6899620;CTK5G7696;HMS545P16;ZINC92142;DTXSID40384114;MCULE-6420712485

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4-[(4-METHYLPHENYL)SULFONYL]-3-NITROBENZOICACID Basic Attributes

Molecular Weight：

321.30500

Exact Mass：

321.03100

DSSTox ID：

DTXSID40384114

Characteristics

PSA：

125.64000

XLogP3：

4.03820

Density：

1.47g/cm3

Boiling Point：

553.2ºC at 760 mmHg

Flash Point：

288.4ºC

Refractive Index：

1.624

Computed Properties

Molecular Weight:321.31
XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:321.03070824
Monoisotopic Mass:321.03070824
Topological Polar Surface Area:126
Heavy Atom Count:22
Complexity:527
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-[(4-METHYLPHENYL)SULFONYL]-3-NITROBENZOICACID

Basic Attributes
Characteristics
Computed Properties

4-[(4-METHYLPHENYL)SULFONYL]-3-NITROBENZOICACID

SDS

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