CAS
99931-82-5 Purity
98%
99931-82-5 Purity
98%
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3-Bromo-1-adamantanecarboxylic acid
CAS
21816-08-0
Catalog Number
ACM21816080
Category
Bromine Series
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What is the molecular formula of 3-Bromo-1-adamantanecarboxylic acid?
The molecular formula is C11H15BrO2.
What is the molecular weight of 3-Bromo-1-adamantanecarboxylic acid?
The molecular weight is 259.14 g/mol.
What is the IUPAC name of 3-Bromo-1-adamantanecarboxylic acid?
The IUPAC name is 3-bromoadamantane-1-carboxylic acid.
What is the InChI key of 3-Bromo-1-adamantanecarboxylic acid?
The InChI key is DJUDQBVINJIMFO-UHFFFAOYSA-N.
What is the canonical SMILES of 3-Bromo-1-adamantanecarboxylic acid?
The canonical SMILES is C1C2CC3(CC1CC(C2)(C3)Br)C(=O)O.
What is the CAS number of 3-Bromo-1-adamantanecarboxylic acid?
The CAS number is 21816-08-0.
What is the XLogP3-AA value of 3-Bromo-1-adamantanecarboxylic acid?
The XLogP3-AA value is 2.4.
How many hydrogen bond donor counts does 3-Bromo-1-adamantanecarboxylic acid have?
It has 1 hydrogen bond donor count.
How many hydrogen bond acceptor counts does 3-Bromo-1-adamantanecarboxylic acid have?
It has 2 hydrogen bond acceptor counts.
How many rotatable bond counts does 3-Bromo-1-adamantanecarboxylic acid have?
It has 1 rotatable bond count.
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