CAS
94133-64-9 Purity
96%
94133-64-9 Purity
96%
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N,N-Dibutyl-1,3-dichloro-beta-hydroxy-6-(trifluoromethyl)phenanthren-9-propanamide
CAS
94133-70-7
Catalog Number
ACM94133707
Category
Other Products
Molecular Weight
514.407230 [g/mol]
Molecular Formula
C26H28Cl2F3NO2
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Specification
Synonyms
EINECS 302-732-9;
IUPAC Name
N,N-dibutyl-3-[1,3-dichloro-6-(trifluoromethyl)phenanthren-9-yl]-3-hydroxypropanamide
Canonical SMILES
CCCCN(CCCC)C(=O)CC(C1=C2C=CC(=CC2=C3C=C(C=C(C3=C1)Cl)Cl)C(F)(F)F)O
InChI Key
SGPMBCWVUOBUPW-UHFFFAOYSA-N
Boiling Point
630.1ºC at 760mmHg
Flash Point
334.9ºC
Density
1.288g/cm³
EC Number
302-732-9
Exact Mass
513.14500
H-Bond Acceptor
5
H-Bond Donor
1
What is the molecular formula of N,N-Dibutyl-1,3-dichloro-beta-hydroxy-6-(trifluoromethyl)phenanthren-9-propanamide?
The molecular formula is C26H28Cl2F3NO2.
When was N,N-Dibutyl-1,3-dichloro-beta-hydroxy-6-(trifluoromethyl)phenanthren-9-propanamide created and modified?
It was created on August 20, 2009, and modified on December 30, 2023.
What is the IUPAC Name of N,N-Dibutyl-1,3-dichloro-beta-hydroxy-6-(trifluoromethyl)phenanthren-9-propanamide?
The IUPAC Name is N,N-dibutyl-3-[1,3-dichloro-6-(trifluoromethyl)phenanthren-9-yl]-3-hydroxypropanamide.
What is the InChIKey of N,N-Dibutyl-1,3-dichloro-beta-hydroxy-6-(trifluoromethyl)phenanthren-9-propanamide?
The InChIKey is SGPMBCWVUOBUPW-UHFFFAOYSA-N.
How many hydrogen bond donor counts does N,N-Dibutyl-1,3-dichloro-beta-hydroxy-6-(trifluoromethyl)phenanthren-9-propanamide have?
It has 1 hydrogen bond donor count.
What is the XLogP3-AA value of N,N-Dibutyl-1,3-dichloro-beta-hydroxy-6-(trifluoromethyl)phenanthren-9-propanamide?
The XLogP3-AA value is 7.6.
What is the topological polar surface area of N,N-Dibutyl-1,3-dichloro-beta-hydroxy-6-(trifluoromethyl)phenanthren-9-propanamide?
The topological polar surface area is 40.5 Ų.
How many rotatable bond counts does N,N-Dibutyl-1,3-dichloro-beta-hydroxy-6-(trifluoromethyl)phenanthren-9-propanamide have?
It has 9 rotatable bond counts.
Is N,N-Dibutyl-1,3-dichloro-beta-hydroxy-6-(trifluoromethyl)phenanthren-9-propanamide considered a canonicalized compound?
Yes, it is considered a canonicalized compound.
What is the molecular weight of N,N-Dibutyl-1,3-dichloro-beta-hydroxy-6-(trifluoromethyl)phenanthren-9-propanamide?
The molecular weight is 514.4 g/mol.
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