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4-[(TERT-BUTYLAMINO)SULFONYL]BENZOICACID

4-[(TERT-BUTYLAMINO)SULFONYL]BENZOICACID structure

CAS No:
99987-05-0
Formula:
C11H15NO4S
Chemical Name:
4-[(TERT-BUTYLAMINO)SULFONYL]BENZOICACID
Synonyms:
4-tert-butylsulfamoyl-benzoic acid;Benzoic acid, 4-[[(1,1-dimethylethyl)amino]sulfonyl]-;4-(N-(tert-butyl)sulfamoyl)benzoic acid

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4-[(TERT-BUTYLAMINO)SULFONYL]BENZOICACID Basic Attributes

Molecular Weight：

257.31

Exact Mass：

257.07217913

DSSTox ID：

DTXSID50360681

Characteristics

Density：

1.273±0.06 g/cm3

Melting Point：

182-183 °C(Solv: water (7732-18-5); ethanol (64-17-5)(10:1))

Boiling Point：

415.4±47.0 °C(Predicted)

PKA：

3.55±0.10

Computed Properties

Molecular Weight:257.31
XLogP3:1.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:257.07217913
Monoisotopic Mass:257.07217913
Topological Polar Surface Area:91.8
Heavy Atom Count:17
Complexity:369
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-[(TERT-BUTYLAMINO)SULFONYL]BENZOICACID

Basic Attributes
Characteristics
Computed Properties

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