CAS
947498-81-9 Purity
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947498-81-9 Purity
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3-(Pyrrolidin-1-yl)benzene-1-sulfonyl chloride
CAS
947498-96-6
Catalog Number
ACM947498966
Category
Other Products
Molecular Weight
245.725780 [g/mol]
Molecular Formula
C10H12ClNO2S
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Specification
Synonyms
3-(PYRROLIDIN-1-YL)BENZENE-1-SULFONYL CHLORIDE, 947498-96-6, CTK6H8773, AKOS006336542, AG-A-54106, 3-(pyrrolidin-1-yl)benzene-1-sulfonylchloride, A12451
IUPAC Name
3-pyrrolidin-1-ylbenzenesulfonyl chloride
Canonical SMILES
C1CCN(C1)C2=CC(=CC=C2)S(=O)(=O)Cl
InChI Key
CDAWVCWDNKOVAE-UHFFFAOYSA-N
Exact Mass
245.02800
H-Bond Acceptor
3
H-Bond Donor
0
What is the molecular formula of 3-(pyrrolidin-1-yl)benzene-1-sulfonyl chloride?
The molecular formula is C10H12ClNO2S.
When was 3-(pyrrolidin-1-yl)benzene-1-sulfonyl chloride created?
It was created on 2011-10-30.
What is the molecular weight of 3-(pyrrolidin-1-yl)benzene-1-sulfonyl chloride?
The molecular weight is 245.73 g/mol.
What is the IUPAC name of 3-(pyrrolidin-1-yl)benzene-1-sulfonyl chloride?
The IUPAC name is 3-pyrrolidin-1-ylbenzenesulfonyl chloride.
What is the InChIKey of 3-(pyrrolidin-1-yl)benzene-1-sulfonyl chloride?
The InChIKey is CDAWVCWDNKOVAE-UHFFFAOYSA-N.
How many hydrogen bond donor counts does 3-(pyrrolidin-1-yl)benzene-1-sulfonyl chloride have?
It has 0 hydrogen bond donor counts.
What is the topological polar surface area of 3-(pyrrolidin-1-yl)benzene-1-sulfonyl chloride?
The topological polar surface area is 45.8 Ų.
Does 3-(pyrrolidin-1-yl)benzene-1-sulfonyl chloride have any defined atom stereocenter count?
No, it has 0 defined atom stereocenter count.
How many rotatable bond counts does 3-(pyrrolidin-1-yl)benzene-1-sulfonyl chloride have?
It has 2 rotatable bond counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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CAS
947498-93-3 Purity
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947498-93-3 Purity
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