CAS
95896-08-5 Purity
96%
95896-08-5 Purity
96%
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2-(3,4-Dichlorobenzoyl)pyridine
CAS
95898-75-2
Catalog Number
ACM95898752
Category
Other Products
Molecular Weight
252.1
Molecular Formula
C12H7Cl2NO
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Specification
Synonyms
2-(3,4-DICHLOROBENZOYL)PYRIDINE
IUPAC Name
(3,4-dichlorophenyl)-pyridin-2-ylmethanone
Canonical SMILES
C1=CC=NC(=C1)C(=O)C2=CC(=C(C=C2)Cl)Cl
InChI Key
RCFPXGFATRVHLV-UHFFFAOYSA-N
Boiling Point
400.419ºC at 760 mmHg
Flash Point
195.966ºC
Density
1.365g/cm³
Exact Mass
250.99000
H-Bond Acceptor
2
H-Bond Donor
0
What is the IUPAC name of the compound with PubChem CID 10514937?
The IUPAC name is (3,4-dichlorophenyl)-pyridin-2-ylmethanone.
What is the molecular weight of the compound?
The molecular weight is 252.09 g/mol.
What is the Canonical SMILES representation of the compound?
The Canonical SMILES representation is C1=CC=NC(=C1)C(=O)C2=CC(=C(C=C2)Cl)Cl.
How many hydrogen bond acceptor counts are there in the compound?
There are 2 hydrogen bond acceptor counts.
What is the exact mass of the compound?
The exact mass is 250.9904692 g/mol.
What is the topological polar surface area of the compound?
The topological polar surface area is 30Ų.
How many heavy atoms are present in the compound?
There are 16 heavy atoms.
Is the compound canonicalized?
Yes, the compound is canonicalized.
How many rotatable bond counts are there in the compound?
There are 2 rotatable bond counts.
What is the InChIKey of the compound?
The InChIKey is RCFPXGFATRVHLV-UHFFFAOYSA-N.
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