CAS
99985-09-8 Purity
96%
99985-09-8 Purity
96%
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4-[(tert-Butylamino)sulfonyl]benzoic acid
CAS
99987-05-0
Catalog Number
ACM99987050
Category
Other Products
Molecular Weight
256.298160 [g/mol]
Molecular Formula
C11H14NO4S-
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Specification
Synonyms
ZINC00874371, CID6969912, 99987-05-0
IUPAC Name
4-(tert-butylsulfamoyl)benzoate
InChI Key
KLTFWNOBVBGGCG-UHFFFAOYSA-M
Boiling Point
415.4ºC at 760 mmHg
Flash Point
205ºC
Density
1.273g/cm³
Exact Mass
257.07200
H-Bond Acceptor
5
H-Bond Donor
1
What is the molecular formula of 4-[(tert-Butylamino)sulfonyl]benzoic acid?
The molecular formula is C11H15NO4S.
When was 4-[(tert-Butylamino)sulfonyl]benzoic acid created and modified in PubChem?
It was created on July 10, 2005, and modified on December 30, 2023.
What is the IUPAC name of 4-[(tert-Butylamino)sulfonyl]benzoic acid?
The IUPAC name is 4-(tert-butylsulfamoyl)benzoic acid.
What is the InChI of 4-[(tert-Butylamino)sulfonyl]benzoic acid?
The InChI is InChI=1S/C11H15NO4S/c1-11(2,3)12-17(15,16)9-6-4-8(5-7-9)10(13)14/h4-7,12H,1-3H3,(H,13,14).
What is the InChIKey of 4-[(tert-Butylamino)sulfonyl]benzoic acid?
The InChIKey is KLTFWNOBVBGGCG-UHFFFAOYSA-N.
What is the molecular weight of 4-[(tert-Butylamino)sulfonyl]benzoic acid?
The molecular weight is 257.31 g/mol.
How many hydrogen bond donor counts does 4-[(tert-Butylamino)sulfonyl]benzoic acid have?
It has 2 hydrogen bond donor counts.
What is the XLogP3 value of 4-[(tert-Butylamino)sulfonyl]benzoic acid?
The XLogP3 value is 1.4.
How many hydrogen bond acceptor counts does 4-[(tert-Butylamino)sulfonyl]benzoic acid have?
It has 5 hydrogen bond acceptor counts.
Is 4-[(tert-Butylamino)sulfonyl]benzoic acid considered canonicalized in PubChem?
Yes, it is considered canonicalized.
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