CAS
93962-59-5 Purity
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93962-59-5 Purity
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Butanoic acid,2-bromo-,(1-methylethylidene)bis(4,1-phenyleneoxy-2,1-ethanediyl)ester(9ci)
CAS
93962-69-7
Catalog Number
ACM93962697
Category
Other Products
Molecular Weight
614.36326
Molecular Formula
C27H34Br2O6
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Specification
Synonyms
EINECS 300-707-7, (Isopropylidene)bis(p-phenyleneoxyethylene) bis(2-bromobutyrate), 93962-69-7
IUPAC Name
2-[4-[2-[4-[2-(2-bromobutanoyloxy)ethoxy]phenyl]propan-2-yl]phenoxy]ethyl 2-bromobutanoate
SMILES
CCC(C(=O)OCCOC1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)OCCOC(=O)C(CC)Br)Br
InChI Key
UZCYMAMMPZZTKW-UHFFFAOYSA-N
EC Number
300-707-7
Exact Mass
612.07200
H-Bond Acceptor
6
H-Bond Donor
0
What is the molecular formula of the compound with PubChem CID 44147253?
The molecular formula is C27H34Br2O6.
When was this compound created in PubChem?
It was created on August 20, 2009.
What is the IUPAC name of the compound?
The IUPAC name is 2-[4-[2-[4-[2-(2-bromobutanoyloxy)ethoxy]phenyl]propan-2-yl]phenoxy]ethyl 2-bromobutanoate.
What is the InChIKey of the compound?
The InChIKey is UZCYMAMMPZZTKW-UHFFFAOYSA-N.
How many hydrogen bond acceptor counts does the compound have?
The compound has 6 hydrogen bond acceptor counts.
What is the exact mass of the compound?
The exact mass is 614.07016 g/mol.
Is the compound canonicalized?
Yes, the compound is canonicalized.
How many rotatable bond counts does the compound have?
The compound has 16 rotatable bond counts.
What is the topological polar surface area of the compound?
The topological polar surface area is 71.1 Ų.
What is the complexity value of the compound?
The complexity value is 575.
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