CAS
946002-43-3 Purity
96%
946002-43-3 Purity
96%
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6-Chloro-1-oxo-1-phenylhexane
CAS
946-01-0
Catalog Number
ACM946010
Category
Other Products
Molecular Weight
210.7
Molecular Formula
C12H15ClO
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Specification
Synonyms
6-CHLORO-1-OXO-1-PHENYLHEXANE
IUPAC Name
6-chloro-1-phenylhexan-1-one
Canonical SMILES
C1=CC=C(C=C1)C(=O)CCCCCCl
InChI Key
DRIUYSZHJOMWHB-UHFFFAOYSA-N
Boiling Point
319.7ºC at 760 mmHg
Flash Point
177.7ºC
Density
1.062g/cm³
Exact Mass
210.08100
H-Bond Acceptor
1
H-Bond Donor
0
What is the molecular formula of 6-Chloro-1-oxo-1-phenylhexane?
The molecular formula of 6-Chloro-1-oxo-1-phenylhexane is C12H15ClO.
What is the molecular weight of 6-Chloro-1-oxo-1-phenylhexane?
The molecular weight of 6-Chloro-1-oxo-1-phenylhexane is 210.70 g/mol.
What is the IUPAC name of 6-Chloro-1-oxo-1-phenylhexane?
The IUPAC name of 6-Chloro-1-oxo-1-phenylhexane is 6-chloro-1-phenylhexan-1-one.
What is the InChIKey of 6-Chloro-1-oxo-1-phenylhexane?
The InChIKey of 6-Chloro-1-oxo-1-phenylhexane is DRIUYSZHJOMWHB-UHFFFAOYSA-N.
How many hydrogen bond donor counts does 6-Chloro-1-oxo-1-phenylhexane have?
6-Chloro-1-oxo-1-phenylhexane has 0 hydrogen bond donor count.
What is the XLogP3-AA value of 6-Chloro-1-oxo-1-phenylhexane?
The XLogP3-AA value of 6-Chloro-1-oxo-1-phenylhexane is 3.2.
What is the exact mass of 6-Chloro-1-oxo-1-phenylhexane?
The exact mass of 6-Chloro-1-oxo-1-phenylhexane is 210.0811428 g/mol.
How many rotatable bond counts does 6-Chloro-1-oxo-1-phenylhexane have?
6-Chloro-1-oxo-1-phenylhexane has 6 rotatable bond counts.
Is 6-Chloro-1-oxo-1-phenylhexane a canonicalized compound?
Yes, 6-Chloro-1-oxo-1-phenylhexane is a canonicalized compound.
What is the topological polar surface area of 6-Chloro-1-oxo-1-phenylhexane?
The topological polar surface area of 6-Chloro-1-oxo-1-phenylhexane is 17.1 Å2.
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