CAS
97187-28-5 Purity
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97187-28-5 Purity
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Isobutyl(-)-2-(4-chloro-2-methylphenoxy)propionate
CAS
97190-15-3
Catalog Number
ACM97190153
Category
Other Products
Molecular Weight
270.751860 [g/mol]
Molecular Formula
C14H19ClO3
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Specification
Synonyms
Mecoprop-P-isobutyl, Mecoprop-P-isobutyl [ISO], EINECS 309-785-7, EINECS 282-718-6, EINECS 303-197-4, EINECS 306-409-3, CID113440, Isobutyl 2-(4-chloro-2-methylphenoxy)propionate, Isobutyl (+)-2-(4-chloro-2-methylphenoxy)propionate, Isobutyl (-)-2-(4-chloro-2-methylphenoxy)propionate, Isobutyl (1)-2-(4-chloro-2-methylphenoxy)propionate, 101012-85-5, 84332-89-8, 94159-21-4, 97190-15-3
IUPAC Name
2-methylpropyl 2-(4-chloro-2-methylphenoxy)propanoate
Canonical SMILES
CC1=C(C=CC(=C1)Cl)OC(C)C(=O)OCC(C)C
InChI Key
RMPYJRQOSTUDNH-UHFFFAOYSA-N
EC Number
282-718-6
H-Bond Acceptor
3
H-Bond Donor
0
What is the molecular formula of the compound?
The molecular formula of the compound is C14H19ClO3.
What is the molecular weight of the compound?
The molecular weight of the compound is 270.75 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 2-methylpropyl 2-(4-chloro-2-methylphenoxy)propanoate.
What is the InChIKey of the compound?
The InChIKey of the compound is RMPYJRQOSTUDNH-UHFFFAOYSA-N.
How many hydrogen bond acceptor counts does the compound have?
The compound has 3 hydrogen bond acceptor counts.
What is the exact mass of the compound?
The exact mass of the compound is 270.1022722 g/mol.
How many rotatable bond counts does the compound have?
The compound has 6 rotatable bond counts.
What is the XLogP3 value of the compound?
The XLogP3 value of the compound is 4.8.
How many defined atom stereocenter counts does the compound have?
The compound has 0 defined atom stereocenter counts.
How many covalently-bonded unit counts does the compound have?
The compound has 1 covalently-bonded unit count.
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