CAS
94133-61-6 Purity
96%
94133-61-6 Purity
96%
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1,3-Dichloro-6-(trifluoromethyl)phenanthren-9-carbonyl chloride
CAS
94133-67-2
Catalog Number
ACM94133672
Category
Other Products
Molecular Weight
377.5724496
Molecular Formula
C16H6Cl3F3O
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Specification
Synonyms
94133-67-2, 1,3-Dichloro-6-(trifluoromethyl)phenanthren-9-carbonyl chloride, CTK3I8781, EINECS 302-729-2, AG-H-87354, 9-Phenanthrenecarbonylchloride, 1,3-dichloro-6-(trifluoromethyl)-
IUPAC Name
1,3-dichloro-6-(trifluoromethyl)phenanthrene-9-carbonyl chloride
Canonical SMILES
C1=CC2=C(C=C3C(=CC(=CC3=C2C=C1C(F)(F)F)Cl)Cl)C(=O)Cl
InChI Key
NJKFWXUBFGNOOC-UHFFFAOYSA-N
Boiling Point
468.7ºC at 760mmHg
Flash Point
237.2ºC
Density
1.563g/cm³
EC Number
302-729-2
Exact Mass
375.94400
H-Bond Acceptor
4
H-Bond Donor
0
What is the molecular formula of 1,3-Dichloro-6-(trifluoromethyl)phenanthren-9-carbonyl chloride?
The molecular formula is C16H6Cl3F3O.
What is the molecular weight of 1,3-Dichloro-6-(trifluoromethyl)phenanthren-9-carbonyl chloride?
The molecular weight is 377.6 g/mol.
What is the IUPAC name of 1,3-Dichloro-6-(trifluoromethyl)phenanthren-9-carbonyl chloride?
The IUPAC name is 1,3-dichloro-6-(trifluoromethyl)phenanthrene-9-carbonyl chloride.
What is the InChIKey of 1,3-Dichloro-6-(trifluoromethyl)phenanthren-9-carbonyl chloride?
The InChIKey is NJKFWXUBFGNOOC-UHFFFAOYSA-N.
What is the Canonical SMILES of 1,3-Dichloro-6-(trifluoromethyl)phenanthren-9-carbonyl chloride?
The Canonical SMILES is C1=CC2=C(C=C3C(=CC(=CC3=C2C=C1C(F)(F)F)Cl)Cl)C(=O)Cl.
What is the CAS number for 1,3-Dichloro-6-(trifluoromethyl)phenanthren-9-carbonyl chloride?
The CAS number is 94133-67-2.
How many hydrogen bond acceptors does 1,3-Dichloro-6-(trifluoromethyl)phenanthren-9-carbonyl chloride have?
It has 4 hydrogen bond acceptors.
What is the topological polar surface area of 1,3-Dichloro-6-(trifluoromethyl)phenanthren-9-carbonyl chloride?
The topological polar surface area is 17.1 Å^2.
How many rotatable bonds does 1,3-Dichloro-6-(trifluoromethyl)phenanthren-9-carbonyl chloride have?
It has 1 rotatable bond.
Is 1,3-Dichloro-6-(trifluoromethyl)phenanthren-9-carbonyl chloride a canonicalized compound?
Yes, it is a canonicalized compound.
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