CAS
94043-01-3 Purity
96%
94043-01-3 Purity
96%
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Nonyl 2-(4-chloro-2-methylphenoxy)propionate
CAS
94043-04-6
Catalog Number
ACM94043046
Category
Other Products
Molecular Weight
340.884760 [g/mol]
Molecular Formula
C19H29ClO3
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Specification
Synonyms
EINECS 301-772-4, CID3023386, Nonyl 2-(4-chloro-2-methylphenoxy)propionate, 94043-04-6
IUPAC Name
nonyl 2-(4-chloro-2-methylphenoxy)propanoate
Canonical SMILES
CCCCCCCCCOC(=O)C(C)OC1=C(C=C(C=C1)Cl)C
InChI Key
VMZHHUIAVZRZKL-UHFFFAOYSA-N
Boiling Point
415.7ºC at 760mmHg
Flash Point
134.3ºC
Density
1.042g/cm³
EC Number
301-772-4
Exact Mass
340.18100
H-Bond Acceptor
3
H-Bond Donor
0
What is the molecular formula of Nonyl 2-(4-chloro-2-methylphenoxy)propionate?
The molecular formula is C19H29ClO3.
What is the molecular weight of Nonyl 2-(4-chloro-2-methylphenoxy)propionate?
The molecular weight is 340.9 g/mol.
What is the IUPAC name of Nonyl 2-(4-chloro-2-methylphenoxy)propionate?
The IUPAC name is nonyl 2-(4-chloro-2-methylphenoxy)propanoate.
What is the InChIKey of Nonyl 2-(4-chloro-2-methylphenoxy)propionate?
The InChIKey is VMZHHUIAVZRZKL-UHFFFAOYSA-N.
What is the Canonical SMILES of Nonyl 2-(4-chloro-2-methylphenoxy)propionate?
The Canonical SMILES is CCCCCCCCCOC(=O)C(C)OC1=C(C=C(C=C1)Cl)C.
What is the CAS number of Nonyl 2-(4-chloro-2-methylphenoxy)propionate?
The CAS number is 94043-04-6.
How many hydrogen bond donor counts does Nonyl 2-(4-chloro-2-methylphenoxy)propionate have?
It has 0 hydrogen bond donor counts.
How many rotatable bond counts does Nonyl 2-(4-chloro-2-methylphenoxy)propionate have?
It has 12 rotatable bond counts.
What is the topological polar surface area of Nonyl 2-(4-chloro-2-methylphenoxy)propionate?
The topological polar surface area is 35.5 Ų.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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