CAS
89937-81-5 Purity
96%
89937-81-5 Purity
96%
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2-CHLORO-5-(METHYLSULFONYL)BENZOIC ACID
CAS
89938-62-5
Catalog Number
ACM89938625
Category
Other Products
Molecular Weight
234.65
Molecular Formula
C8H7ClO4S
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Specification
Synonyms
ZINC03208085, CID2329131, 89938-62-5
IUPAC Name
2-chloro-5-methylsulfonylbenzoate
Canonical SMILES
CS(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)O
InChI Key
SKWDIXBVQATQSG-UHFFFAOYSA-M
Boiling Point
462.9ºC at 760 mmHg
Flash Point
233.7ºC
Exact Mass
233.97500
H-Bond Acceptor
4
H-Bond Donor
0
What is the molecular formula of 2-CHLORO-5-(METHYLSULFONYL)BENZOIC ACID?
The molecular formula of 2-CHLORO-5-(METHYLSULFONYL)BENZOIC ACID is C8H7ClO4S.
What is the molecular weight of 2-CHLORO-5-(METHYLSULFONYL)BENZOIC ACID?
The molecular weight of 2-CHLORO-5-(METHYLSULFONYL)BENZOIC ACID is 234.66 g/mol.
What is the IUPAC name of 2-CHLORO-5-(METHYLSULFONYL)BENZOIC ACID?
The IUPAC name of 2-CHLORO-5-(METHYLSULFONYL)BENZOIC ACID is 2-chloro-5-methylsulfonylbenzoic acid.
What is the InChIKey of 2-CHLORO-5-(METHYLSULFONYL)BENZOIC ACID?
The InChIKey of 2-CHLORO-5-(METHYLSULFONYL)BENZOIC ACID is SKWDIXBVQATQSG-UHFFFAOYSA-N.
What is the Canonical SMILES of 2-CHLORO-5-(METHYLSULFONYL)BENZOIC ACID?
The Canonical SMILES of 2-CHLORO-5-(METHYLSULFONYL)BENZOIC ACID is CS(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)O.
What is the CAS number of 2-CHLORO-5-(METHYLSULFONYL)BENZOIC ACID?
The CAS number of 2-CHLORO-5-(METHYLSULFONYL)BENZOIC ACID is 89938-62-5.
What is the XLogP3 value of 2-CHLORO-5-(METHYLSULFONYL)BENZOIC ACID?
The XLogP3 value of 2-CHLORO-5-(METHYLSULFONYL)BENZOIC ACID is 1.4.
What is the hydrogen bond donor count of 2-CHLORO-5-(METHYLSULFONYL)BENZOIC ACID?
The hydrogen bond donor count of 2-CHLORO-5-(METHYLSULFONYL)BENZOIC ACID is 1.
What is the topological polar surface area of 2-CHLORO-5-(METHYLSULFONYL)BENZOIC ACID?
The topological polar surface area of 2-CHLORO-5-(METHYLSULFONYL)BENZOIC ACID is 79.8 Å2.
Is 2-CHLORO-5-(METHYLSULFONYL)BENZOIC ACID a canonicalized compound?
Yes, 2-CHLORO-5-(METHYLSULFONYL)BENZOIC ACID is a canonicalized compound.
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