Structure

3-Nitrobenzenesulfonyl fluoride

CAS
349-78-0
Catalog Number
ACM349780
Category
Other Fluorinated Organic Building Blocks
Molecular Weight
205.16
Molecular Formula
C12H9FO3S

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Specification

Synonyms
m-Nitrobenzenesulfonyl fluoride, Benzenesulfonyl fluoride, m-nitro-, m-Nitrobenzenesulphonyl fluoride, Benzenesulfonyl fluoride, 3-nitro-, MolPort-001-771-783, CID67683, NSC43019, EINECS 206-492-5, NSC 43019, PC1787, 349-78-0
IUPAC Name
3-nitrobenzenesulfonyl fluoride
Canonical SMILES
C1=CC(=CC(=C1)S(=O)(=O)F)[N+](=O)[O-]
InChI Key
CWFLJNDQTKMBAM-UHFFFAOYSA-N
Boiling Point
263.2ºC at 760mmHg
Flash Point
113ºC
Density
1.493g/cm³
EC Number
206-492-5
Exact Mass
204.98500
Hazard Statements
H314
H-Bond Acceptor
5
H-Bond Donor
0
RIDADR
UN 3261 8 / PGII
Symbol
GHS05
What is the molecular formula of 3-Nitrobenzenesulfonyl fluoride?

The molecular formula of 3-Nitrobenzenesulfonyl fluoride is C6H4FNO4S.

What is the molecular weight of 3-Nitrobenzenesulfonyl fluoride?

The molecular weight of 3-Nitrobenzenesulfonyl fluoride is 205.17 g/mol.

What is the IUPAC name of 3-Nitrobenzenesulfonyl fluoride?

The IUPAC name of 3-Nitrobenzenesulfonyl fluoride is 3-nitrobenzenesulfonyl fluoride.

What is the Canonical SMILES of 3-Nitrobenzenesulfonyl fluoride?

The Canonical SMILES of 3-Nitrobenzenesulfonyl fluoride is C1=CC(=CC(=C1)S(=O)(=O)F)[N+](=O)[O-].

How many hydrogen bond acceptor counts does 3-Nitrobenzenesulfonyl fluoride have?

3-Nitrobenzenesulfonyl fluoride has 5 hydrogen bond acceptor counts.

What is the topological polar surface area of 3-Nitrobenzenesulfonyl fluoride?

The topological polar surface area of 3-Nitrobenzenesulfonyl fluoride is 88.3 Å2.

Is 3-Nitrobenzenesulfonyl fluoride a canonicalized compound?

Yes, 3-Nitrobenzenesulfonyl fluoride is a canonicalized compound.

What are some synonyms for 3-Nitrobenzenesulfonyl fluoride?

Some synonyms for 3-Nitrobenzenesulfonyl fluoride include m-Nitrobenzenesulfonyl fluoride and 3-nitrobenzene-1-sulfonyl fluoride.

What is the CAS number for 3-Nitrobenzenesulfonyl fluoride?

The CAS number for 3-Nitrobenzenesulfonyl fluoride is 349-78-0.

What is the InChIKey for 3-Nitrobenzenesulfonyl fluoride?

The InChIKey for 3-Nitrobenzenesulfonyl fluoride is CWFLJNDQTKMBAM-UHFFFAOYSA-N.

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