CAS
91141-46-7 Purity
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91141-46-7 Purity
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(aR)-3,5-Dibromo-a-methyl-benzenemethanamine
CAS
911426-06-7
Catalog Number
ACM911426067
Category
Other Products
Molecular Weight
278.974
Molecular Formula
C8H9Br2N
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Specification
Synonyms
Benzenemethanamine, 3,5-dibromo-α-methyl-, (αR)-;Benzenemethanamine, 3,5-dibromo-a-methyl-, (aR)-
IUPAC Name
(1R)-1-(3,5-dibromophenyl)ethanamine
Canonical SMILES
CC(C1=CC(=CC(=C1)Br)Br)N
InChI Key
DWZJEVRHNGHMTL-RXMQYKEDSA-N
Exact Mass
276.91000
H-Bond Acceptor
1
H-Bond Donor
1
What is the molecular formula of (aR)-3,5-Dibromo-a-methyl-benzenemethanamine?
The molecular formula is C8H9Br2N.
What is the molecular weight of (aR)-3,5-Dibromo-a-methyl-benzenemethanamine?
The molecular weight is 278.97 g/mol.
What is the IUPAC name of (aR)-3,5-Dibromo-a-methyl-benzenemethanamine?
The IUPAC name is (1R)-1-(3,5-dibromophenyl)ethanamine.
What is the InChI of (aR)-3,5-Dibromo-a-methyl-benzenemethanamine?
The InChI is InChI=1S/C8H9Br2N/c1-5(11)6-2-7(9)4-8(10)3-6/h2-5H,11H2,1H3/t5-/m1/s1.
What is the InChIKey of (aR)-3,5-Dibromo-a-methyl-benzenemethanamine?
The InChIKey is DWZJEVRHNGHMTL-RXMQYKEDSA-N.
What is the canonical SMILES of (aR)-3,5-Dibromo-a-methyl-benzenemethanamine?
The canonical SMILES is CC(C1=CC(=CC(=C1)Br)Br)N.
What is the isomeric SMILES of (aR)-3,5-Dibromo-a-methyl-benzenemethanamine?
The isomeric SMILES is C[C@H](C1=CC(=CC(=C1)Br)Br)N.
What is the XLogP3-AA value of (aR)-3,5-Dibromo-a-methyl-benzenemethanamine?
The XLogP3-AA value is 2.6.
How many hydrogen bond donor count does (aR)-3,5-Dibromo-a-methyl-benzenemethanamine have?
It has 1 hydrogen bond donor count.
How many rotatable bond count does (aR)-3,5-Dibromo-a-methyl-benzenemethanamine have?
It has 1 rotatable bond count.
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CAS
911430-08-5 Purity
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911430-08-5 Purity
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