CAS
94021-83-7 Purity
96%
94021-83-7 Purity
96%
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Dodecyl 4-chloro-3,5-dinitrobenzoate
CAS
94021-87-1
Catalog Number
ACM94021871
Category
Other Products
Molecular Weight
414.880480 [g/mol]
Molecular Formula
C19H27ClN2O6
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Specification
Synonyms
Dodecyl 4-chloro-3,5-dinitrobenzoate, EINECS 301-479-1, CID3023288, 94021-87-1
IUPAC Name
dodecyl 4-chloro-3,5-dinitrobenzoate
Canonical SMILES
CCCCCCCCCCCCOC(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])Cl)[N+](=O)[O-]
InChI Key
NKXANKOKHSNAJJ-UHFFFAOYSA-N
Boiling Point
505.8ºC at 760mmHg
Flash Point
259.7ºC
Density
1.204g/cm³
EC Number
301-479-1
Exact Mass
414.15600
H-Bond Acceptor
6
H-Bond Donor
0
What is the molecular formula of Dodecyl 4-chloro-3,5-dinitrobenzoate?
The molecular formula of Dodecyl 4-chloro-3,5-dinitrobenzoate is C19H27ClN2O6.
What is the molecular weight of Dodecyl 4-chloro-3,5-dinitrobenzoate?
The molecular weight of Dodecyl 4-chloro-3,5-dinitrobenzoate is 414.9 g/mol.
What is the IUPAC name of Dodecyl 4-chloro-3,5-dinitrobenzoate?
The IUPAC name of Dodecyl 4-chloro-3,5-dinitrobenzoate is dodecyl 4-chloro-3,5-dinitrobenzoate.
What is the InChIKey of Dodecyl 4-chloro-3,5-dinitrobenzoate?
The InChIKey of Dodecyl 4-chloro-3,5-dinitrobenzoate is NKXANKOKHSNAJJ-UHFFFAOYSA-N.
How many hydrogen bond donor counts does Dodecyl 4-chloro-3,5-dinitrobenzoate have?
Dodecyl 4-chloro-3,5-dinitrobenzoate has 0 hydrogen bond donor counts.
How many hydrogen bond acceptor counts does Dodecyl 4-chloro-3,5-dinitrobenzoate have?
Dodecyl 4-chloro-3,5-dinitrobenzoate has 6 hydrogen bond acceptor counts.
What is the exact mass of Dodecyl 4-chloro-3,5-dinitrobenzoate?
The exact mass of Dodecyl 4-chloro-3,5-dinitrobenzoate is 414.1557643 g/mol.
How many rotatable bond counts does Dodecyl 4-chloro-3,5-dinitrobenzoate have?
Dodecyl 4-chloro-3,5-dinitrobenzoate has 13 rotatable bond counts.
What is the topological polar surface area of Dodecyl 4-chloro-3,5-dinitrobenzoate?
The topological polar surface area of Dodecyl 4-chloro-3,5-dinitrobenzoate is 118Ų.
Is Dodecyl 4-chloro-3,5-dinitrobenzoate a canonicalized compound?
Yes, Dodecyl 4-chloro-3,5-dinitrobenzoate is a canonicalized compound.
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