CAS
93982-96-8 Purity
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93982-96-8 Purity
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4-Chlorophenylbutyl 4-methylbenzenesulfonate
CAS
93982-99-1
Catalog Number
ACM93982991
Category
Other Products
Molecular Weight
338.848960 [g/mol]
Molecular Formula
C17H19ClO3S
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Specification
Synonyms
EINECS 301-286-2, CID11405024, 4-Chlorophenylbutyl 4-methylbenzenesulphonate, 1-chloro-4-[4-(4-methylphenyl)sulfonyloxybutyl]benzene, 93982-99-1
IUPAC Name
4-(4-chlorophenyl)butyl 4-methylbenzenesulfonate
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OCCCCC2=CC=C(C=C2)Cl
InChI Key
GMBWFZODOYMUJF-UHFFFAOYSA-N
Boiling Point
465ºC at 760mmHg
Flash Point
235ºC
Density
1.224g/cm³
EC Number
301-286-2
Exact Mass
338.07400
H-Bond Acceptor
3
H-Bond Donor
0
What is the molecular formula of 4-Chlorophenylbutyl 4-methylbenzenesulfonate?
The molecular formula of 4-Chlorophenylbutyl 4-methylbenzenesulfonate is C17H19ClO3S.
When was 4-Chlorophenylbutyl 4-methylbenzenesulfonate created and modified?
4-Chlorophenylbutyl 4-methylbenzenesulfonate was created on 2006-10-26 and modified on 2023-12-30.
What is the IUPAC name of 4-Chlorophenylbutyl 4-methylbenzenesulfonate?
The IUPAC name of 4-Chlorophenylbutyl 4-methylbenzenesulfonate is 4-(4-chlorophenyl)butyl 4-methylbenzenesulfonate.
What is the InChIKey of 4-Chlorophenylbutyl 4-methylbenzenesulfonate?
The InChIKey of 4-Chlorophenylbutyl 4-methylbenzenesulfonate is GMBWFZODOYMUJF-UHFFFAOYSA-N.
What is the Canonical SMILES of 4-Chlorophenylbutyl 4-methylbenzenesulfonate?
The Canonical SMILES of 4-Chlorophenylbutyl 4-methylbenzenesulfonate is CC1=CC=C(C=C1)S(=O)(=O)OCCCCC2=CC=C(C=C2)Cl.
What is the molecular weight of 4-Chlorophenylbutyl 4-methylbenzenesulfonate?
The molecular weight of 4-Chlorophenylbutyl 4-methylbenzenesulfonate is 338.8 g/mol.
What is the XLogP3-AA value of 4-Chlorophenylbutyl 4-methylbenzenesulfonate?
The XLogP3-AA value of 4-Chlorophenylbutyl 4-methylbenzenesulfonate is 4.9.
How many hydrogen bond donor counts does 4-Chlorophenylbutyl 4-methylbenzenesulfonate have?
4-Chlorophenylbutyl 4-methylbenzenesulfonate has 0 hydrogen bond donor count.
What is the topological polar surface area of 4-Chlorophenylbutyl 4-methylbenzenesulfonate?
The topological polar surface area of 4-Chlorophenylbutyl 4-methylbenzenesulfonate is 51.8A^2.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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