CAS
914203-42-2 Purity
96%
914203-42-2 Purity
96%
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5-(2-Chloronicotinoyl)-2-furoic acid
CAS
914203-45-5
Catalog Number
ACM914203455
Category
Other Products
Molecular Weight
251.62
Molecular Formula
C11H6ClNO4
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Specification
Synonyms
5-(2-CHLORONICOTINOYL)-2-FUROIC ACID
IUPAC Name
5-(2-chloropyridine-3-carbonyl)furan-2-carboxylic acid
Canonical SMILES
C1=CC(=C(N=C1)Cl)C(=O)C2=CC=C(O2)C(=O)O
InChI Key
UJAMLVLWHIEGMN-UHFFFAOYSA-N
Boiling Point
496.6ºC at 760 mmHg
Flash Point
254.2ºC
Density
1.497g/cm³
Exact Mass
250.99900
H-Bond Acceptor
5
H-Bond Donor
1
What is the molecular formula of the compound 5-(2-Chloronicotinoyl)-2-furoic acid?
The molecular formula is C11H6ClNO4.
When was the compound first created?
The compound was first created on February 29, 2008.
What is the molecular weight of the compound?
The molecular weight is 251.62 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is 5-(2-chloropyridine-3-carbonyl)furan-2-carboxylic acid.
What is the InChIKey of the compound?
The InChIKey is UJAMLVLWHIEGMN-UHFFFAOYSA-N.
How many hydrogen bond acceptor counts does the compound have?
The compound has 5 hydrogen bond acceptor counts.
What is the exact mass of the compound?
The exact mass is 250.9985354 g/mol.
How many rotatable bond counts does the compound have?
The compound has 3 rotatable bond counts.
What is the topological polar surface area of the compound?
The topological polar surface area is 80.4 Å2.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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