CAS
93858-68-5 Purity
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93858-68-5 Purity
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Nitrilotriethane-2,1-diyl tris[2-(4-chloro-2-methylphenoxy)propionate]
CAS
93858-73-2
Catalog Number
ACM93858732
Category
Other Products
Molecular Weight
739.078980 [g/mol]
Molecular Formula
C36H42Cl3NO9
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Specification
Synonyms
EINECS 299-307-2, Nitrilotriethane-2,1-diyl tris(2-(4-chloro-2-methylphenoxy)propionate), 93858-73-2
IUPAC Name
2-[bis[2-[2-(4-chloro-2-methylphenoxy)propanoyloxy]ethyl]amino]ethyl 2-(4-chloro-2-methylphenoxy)propanoate
Canonical SMILES
CC1=C(C=CC(=C1)Cl)OC(C)C(=O)OCCN(CCOC(=O)C(C)OC2=C(C=C(C=C2)Cl)C)CCOC(=O)C(C)OC3=C(C=C(C=C3)Cl)C
InChI Key
IXCVLLLMUNBPAU-UHFFFAOYSA-N
EC Number
299-307-2
Exact Mass
737.19300
H-Bond Acceptor
10
H-Bond Donor
0
What is the IUPAC name of the compound with PubChem CID 44148643?
The IUPAC name is 2-[bis[2-[2-(4-chloro-2-methylphenoxy)propanoyloxy]ethyl]amino]ethyl 2-(4-chloro-2-methylphenoxy)propanoate.
What is the molecular formula of the compound with PubChem CID 44148643?
The molecular formula is C36H42Cl3NO9.
When was this compound created in PubChem?
It was created on August 20, 2009.
What is the molecular weight of the compound with PubChem CID 44148643?
The molecular weight is 739.1 g/mol.
What is the InChIKey of the compound?
The InChIKey is IXCVLLLMUNBPAU-UHFFFAOYSA-N.
How many hydrogen bond donor counts are there in the compound with PubChem CID 44148643?
There are 0 hydrogen bond donor counts.
What is the topological polar surface area of the compound?
The topological polar surface area is 110 Ų.
How many rotatable bond counts are there in the compound?
There are 21 rotatable bond counts.
Is the compound with PubChem CID 44148643 canonicalized?
Yes, the compound is canonicalized.
How many defined atom stereocenter counts are there in the compound?
There are 0 defined atom stereocenter counts.
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93858-79-8 Purity
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93858-79-8 Purity
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