CAS
96992-71-1 Purity
98%
96992-71-1 Purity
98%
![(3S,8R,9S,10R,13S,14S,17R)-17-[2-(Anilino)-1,3-thiazol-4-yl]-10,13-dimethyl-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol](https://resource.alfa-chemistry.com/structure/96996-84-8.gif)
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Benzonitrile,2-(dimethylamino)-6-fluoro-
CAS
96994-73-9
Catalog Number
ACM96994739
Category
Other Products
Molecular Weight
164.18
Molecular Formula
C9H9 F N2
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Specification
Synonyms
ZINC00156400, CID2737104, ST5407120, 96994-73-9
IUPAC Name
2-(dimethylamino)-6-fluorobenzonitrile
Canonical SMILES
CN(C)C1=C(C(=CC=C1)F)C#N
InChI Key
WWNKVUULRIWDJZ-UHFFFAOYSA-N
Boiling Point
131-96ºC (5 torr)
Flash Point
115.5ºC
Density
1.13g/cm³
Exact Mass
164.07500
Hazard Statements
Xn:Harmful;
H-Bond Acceptor
3
H-Bond Donor
0
Packing Group
III
Safety Description
S26-S36/37/39
What is the molecular formula of Benzonitrile, 2-(dimethylamino)-6-fluoro?
The molecular formula is C9H9FN2.
What is the molecular weight of Benzonitrile, 2-(dimethylamino)-6-fluoro?
The molecular weight is 164.18 g/mol.
What is the IUPAC name of Benzonitrile, 2-(dimethylamino)-6-fluoro?
The IUPAC name is 2-(dimethylamino)-6-fluorobenzonitrile.
What is the InChI of Benzonitrile, 2-(dimethylamino)-6-fluoro?
The InChI is InChI=1S/C9H9FN2/c1-12(2)9-5-3-4-8(10)7(9)6-11/h3-5H,1-2H3.
How many hydrogen bond donor counts does Benzonitrile, 2-(dimethylamino)-6-fluoro have?
It has 0 hydrogen bond donor counts.
What is the XLogP3-AA value of Benzonitrile, 2-(dimethylamino)-6-fluoro?
The XLogP3-AA value is 1.9.
How many hydrogen bond acceptor counts does Benzonitrile, 2-(dimethylamino)-6-fluoro have?
It has 3 hydrogen bond acceptor counts.
What is the topological polar surface area of Benzonitrile, 2-(dimethylamino)-6-fluoro?
The topological polar surface area is 27.2.
How many rotatable bond counts does Benzonitrile, 2-(dimethylamino)-6-fluoro have?
It has 1 rotatable bond count.
Is the compound Benzonitrile, 2-(dimethylamino)-6-fluoro canonicalized?
Yes, the compound is canonicalized.
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