CAS
93839-13-5 Purity
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93839-13-5 Purity
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Acetyl(2-chloro-6-fluorophenyl)acetonitrile
CAS
93839-17-9
Catalog Number
ACM93839179
Category
Other Products
Molecular Weight
211.620083
Molecular Formula
C10H7ClFNO
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Specification
Synonyms
EINECS 298-787-0, CID3022525, Acetyl(2-chloro-6-fluorophenyl)acetonitrile, 93839-17-9
IUPAC Name
2-(2-chloro-6-fluorophenyl)-3-oxobutanenitrile
Canonical SMILES
CC(=O)C(C#N)C1=C(C=CC=C1Cl)F
InChI Key
DARQRNNQPWWWJT-UHFFFAOYSA-N
Boiling Point
258ºC at 760mmHg
Flash Point
109.8ºC
Density
1.3g/cm³
EC Number
298-787-0
Exact Mass
211.02000
H-Bond Acceptor
3
H-Bond Donor
0
What is the molecular formula of Acetyl(2-chloro-6-fluorophenyl)acetonitrile?
The molecular formula of Acetyl(2-chloro-6-fluorophenyl)acetonitrile is C10H7ClFNO.
What is the molecular weight of Acetyl(2-chloro-6-fluorophenyl)acetonitrile?
The molecular weight of Acetyl(2-chloro-6-fluorophenyl)acetonitrile is 211.62 g/mol.
What is the IUPAC name of Acetyl(2-chloro-6-fluorophenyl)acetonitrile?
The IUPAC name of Acetyl(2-chloro-6-fluorophenyl)acetonitrile is 2-(2-chloro-6-fluorophenyl)-3-oxobutanenitrile.
What is the InChI of Acetyl(2-chloro-6-fluorophenyl)acetonitrile?
The InChI of Acetyl(2-chloro-6-fluorophenyl)acetonitrile is InChI=1S/C10H7ClFNO/c1-6(14)7(5-13)10-8(11)3-2-4-9(10)12/h2-4,7H,1H3
What is the InChIKey of Acetyl(2-chloro-6-fluorophenyl)acetonitrile?
The InChIKey of Acetyl(2-chloro-6-fluorophenyl)acetonitrile is DARQRNNQPWWWJT-UHFFFAOYSA-N.
What is the canonical SMILES of Acetyl(2-chloro-6-fluorophenyl)acetonitrile?
The canonical SMILES of Acetyl(2-chloro-6-fluorophenyl)acetonitrile is CC(=O)C(C#N)C1=C(C=CC=C1Cl)F.
What is the CAS number of Acetyl(2-chloro-6-fluorophenyl)acetonitrile?
The CAS number of Acetyl(2-chloro-6-fluorophenyl)acetonitrile is 93839-17-9.
How many hydrogen bond donor counts are there in Acetyl(2-chloro-6-fluorophenyl)acetonitrile?
There are 0 hydrogen bond donor counts in Acetyl(2-chloro-6-fluorophenyl)acetonitrile.
What is the xLogP3-AA value of Acetyl(2-chloro-6-fluorophenyl)acetonitrile?
The xLogP3-AA value of Acetyl(2-chloro-6-fluorophenyl)acetonitrile is 2.3.
Is the compound Acetyl(2-chloro-6-fluorophenyl)acetonitrile canonicalized?
Yes, the compound Acetyl(2-chloro-6-fluorophenyl)acetonitrile is canonicalized.
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