CAS
34576-87-9 Purity
96%
34576-87-9 Purity
96%
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5-(2-Chloro-4-nitrophenyl)-2-furoylchloride
CAS
380594-11-6
Catalog Number
ACM380594116
Category
Other Products
Molecular Weight
286.07
Molecular Formula
C11H5Cl2NO4
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Specification
Synonyms
5-(2-chloro-4-nitrophenyl)furan-2-carbonyl chloride, AG-F-33974, 380594-11-6, 5-(2-CHLORO-4-NITROPHENYL)-2-FUROYL CHLORIDE, AC1NAZ3T, ACMC-1CTG9, AC1Q1XN0, CTK4H9258, ZINC06220305, AKOS000289085, BB 0245574, I14-90577, 2-Furancarbonyl chloride, 5-(2-chloro-4-nitrophenyl)-, 5-(2-Chloro-4-nitro-phenyl)-furan-2-carbonyl chloride, 5-(2-Chloro-4-Nitro-Phenyl)-Furan-2-Carbonyl Chloride
IUPAC Name
5-(2-chloro-4-nitrophenyl)furan-2-carbonyl chloride
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])Cl)C2=CC=C(O2)C(=O)Cl
InChI Key
BQTYBZIOLAXUSL-UHFFFAOYSA-N
Boiling Point
405.6ºC at 760 mmHg
Flash Point
199.1ºC
Density
1.523g/cm³
Exact Mass
284.96000
H-Bond Acceptor
4
H-Bond Donor
0
Packing Group
III
What is the molecular formula of the compound?
The molecular formula of the compound is C11H5Cl2NO4.
What is the molecular weight of the compound?
The molecular weight of the compound is 286.06 g/mol.
What is the IUPAC Name of the compound?
The IUPAC Name of the compound is 5-(2-chloro-4-nitrophenyl)furan-2-carbonyl chloride.
What is the InChIKey of the compound?
The InChIKey of the compound is BQTYBZIOLAXUSL-UHFFFAOYSA-N.
How many hydrogen bond acceptors does the compound have?
The compound has 4 hydrogen bond acceptors.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 3.9.
What is the exact mass of the compound?
The exact mass of the compound is 284.9595630 g/mol.
How many rotatable bond counts does the compound have?
The compound has 2 rotatable bond counts.
What is the topological polar surface area of the compound?
The topological polar surface area of the compound is 76 Ų.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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