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alpha,alpha,alpha-Trifluoro-2-(2-iodoethyl)toluene
CAS
94022-98-7
Catalog Number
ACM94022987
Category
Other Products
Molecular Weight
300.059500 [g/mol]
Molecular Formula
C9H8F3I
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Specification
Synonyms
94022-98-7, EINECS 301-593-1, AC1MIEMT, SureCN7330366, CTK5H4656, AG-H-86279, 1-(2-iodoethyl)-2-(trifluoromethyl)benzene, alpha,alpha,alpha-Trifluoro-2-(2-iodoethyl)toluene, .ALPHA.,ALPHA,ALPHA-TRIFLUORO-2-(2-IODOETHYL)TOLUENE
IUPAC Name
1-(2-iodoethyl)-2-(trifluoromethyl)benzene
Canonical SMILES
C1=CC=C(C(=C1)CCI)C(F)(F)F
InChI Key
HIPIOCUVIHLDIP-UHFFFAOYSA-N
Boiling Point
235.3ºC at 760mmHg
Flash Point
96.4ºC
Density
1.718g/cm³
EC Number
301-593-1
Exact Mass
299.96200
H-Bond Acceptor
3
H-Bond Donor
0
What is the molecular formula of alpha,alpha,alpha-Trifluoro-2-(2-iodoethyl)toluene?
The molecular formula is C9H8F3I.
What is the molecular weight of alpha,alpha,alpha-Trifluoro-2-(2-iodoethyl)toluene?
The molecular weight is 300.06 g/mol.
What is the IUPAC Name of alpha,alpha,alpha-Trifluoro-2-(2-iodoethyl)toluene?
The IUPAC Name is 1-(2-iodoethyl)-2-(trifluoromethyl)benzene.
What is the InChIKey of alpha,alpha,alpha-Trifluoro-2-(2-iodoethyl)toluene?
The InChIKey is HIPIOCUVIHLDIP-UHFFFAOYSA-N.
How many hydrogen bond acceptors does alpha,alpha,alpha-Trifluoro-2-(2-iodoethyl)toluene have?
It has 3 hydrogen bond acceptors.
What is the XLogP3-AA value of alpha,alpha,alpha-Trifluoro-2-(2-iodoethyl)toluene?
The XLogP3-AA value is 4.4.
Is alpha,alpha,alpha-Trifluoro-2-(2-iodoethyl)toluene a canonicalized compound?
Yes, it is a canonicalized compound.
What is the topological polar surface area of alpha,alpha,alpha-Trifluoro-2-(2-iodoethyl)toluene?
The topological polar surface area is 0-2.
How many rotable bonds does alpha,alpha,alpha-Trifluoro-2-(2-iodoethyl)toluene have?
It has 2 rotable bonds.
What is the formal charge of alpha,alpha,alpha-Trifluoro-2-(2-iodoethyl)toluene?
The formal charge is 0.
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