CAS
948916-23-2 Purity
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948916-23-2 Purity
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N-(2,2-Difluorobenzo[1,3]dioxol-5-yl)acetamide
CAS
948-94-7
Catalog Number
ACM948947
Category
Other Products
Molecular Formula
C9H7F2NO3
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Specification
Synonyms
N-(2,2-Difluoro-benzo[1,3]dioxol-5-yl)-acetamide
IUPAC Name
N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide
Canonical SMILES
CC(=O)NC1=CC2=C(C=C1)OC(O2)(F)F
InChI Key
LGSMRDRDHHFMJP-UHFFFAOYSA-N
Boiling Point
313.1ºC at 760 mmHg
Melting Point
136-138ºC
Flash Point
143.2ºC
Density
1.45g/cm³
Appearance
Yellow Solid
Exact Mass
215.03900
H-Bond Acceptor
5
H-Bond Donor
1
What is the molecular formula of N-(2,2-Difluorobenzo[1,3]dioxol-5-yl)acetamide?
The molecular formula is C9H7F2NO3.
What is the molecular weight of N-(2,2-Difluorobenzo[1,3]dioxol-5-yl)acetamide?
The molecular weight is 215.15 g/mol.
What is the IUPAC name of N-(2,2-Difluorobenzo[1,3]dioxol-5-yl)acetamide?
The IUPAC name is N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide.
What is the InChIKey of N-(2,2-Difluorobenzo[1,3]dioxol-5-yl)acetamide?
The InChIKey is LGSMRDRDHHFMJP-UHFFFAOYSA-N.
How many hydrogen bond donor counts does N-(2,2-Difluorobenzo[1,3]dioxol-5-yl)acetamide have?
N-(2,2-Difluorobenzo[1,3]dioxol-5-yl)acetamide has 1 hydrogen bond donor count.
What is the topological polar surface area of N-(2,2-Difluorobenzo[1,3]dioxol-5-yl)acetamide?
The topological polar surface area is 47.6 Å2.
How many rotatable bond counts does N-(2,2-Difluorobenzo[1,3]dioxol-5-yl)acetamide have?
N-(2,2-Difluorobenzo[1,3]dioxol-5-yl)acetamide has 1 rotatable bond count.
Is the compound canonicalized?
Yes, the compound is canonicalized.
What is the formal charge of N-(2,2-Difluorobenzo[1,3]dioxol-5-yl)acetamide?
The formal charge is 0.
When was N-(2,2-Difluorobenzo[1,3]dioxol-5-yl)acetamide last modified in the database?
It was last modified on 2023-12-30.
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