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4-(4-Methyl-N-octylphenylsulfonaMido)benzoicacid

4-(4-Methyl-N-octylphenylsulfonaMido)benzoicacid structure

CAS No:
82318-17-0
Formula:
C22H29NO4S
Chemical Name:
4-(4-Methyl-N-octylphenylsulfonaMido)benzoicacid
Synonyms:
4-(4-Methyl-N-octylphenylsulfonaMido)benzoic acid;Benzoic acid, 4-[[(4-methylphenyl)sulfonyl]octylamino]-

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4-(4-Methyl-N-octylphenylsulfonaMido)benzoicacid Basic Attributes

Molecular Weight：

403.54

Exact Mass：

403.18172958 g/mol

NSC Number：

164958

DSSTox ID：

DTXSID80304250

Characteristics

PSA：

83.1 Å²

Density：

1.181±0.06 g/cm3

Melting Point：

178-179 °C

Boiling Point：

567.1±60.0 °C(Predicted)

PKA：

4.28±0.10

Computed Properties

Molecular Weight:403.5
XLogP3:5.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:11
Exact Mass:403.18172958
Monoisotopic Mass:403.18172958
Topological Polar Surface Area:83.1
Heavy Atom Count:28
Complexity:556
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-(4-Methyl-N-octylphenylsulfonaMido)benzoicacid

Basic Attributes
Characteristics
Computed Properties

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