CAS
95406-70-5 Purity
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95406-70-5 Purity
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2-Bromo-5-cyclopropyl-1-methyl-1H-pyrrole
CAS
954106-65-1
Catalog Number
ACM954106651
Category
Other Products
Molecular Weight
237.5247;g/mol
Molecular Formula
C7H10BrClN2
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Specification
Synonyms
5-Bromcyclopentadien; 5-bromo-2-cyclopropyl-1-methyl-1H-imidazole hydrochloride; 5-Bromo-cyclopentadien; 5-BROMO-1,3-CYCLOPENTADIENE; 5-bromo-cyclopropyl-1-methyl-1H-imidazole hydrochloride; 5-bromocyclopentadiene;
IUPAC Name
5-bromo-2-cyclopropyl-1-methylimidazole;hydrochloride
Canonical SMILES
CN1C(=CN=C1C2CC2)Br.Cl
InChI Key
INCJUYKGOBUVTA-UHFFFAOYSA-N
Exact Mass
199.00000
What is the molecular formula of 2-Bromo-5-cyclopropyl-1-methyl-1H-pyrrole?
The molecular formula of 2-Bromo-5-cyclopropyl-1-methyl-1H-pyrrole is C8H10BrN.
When was 2-Bromo-5-cyclopropyl-1-methyl-1H-pyrrole first created?
2-Bromo-5-cyclopropyl-1-methyl-1H-pyrrole was first created on October 24, 2012.
What is the computed IUPAC name of 2-Bromo-5-cyclopropyl-1-methyl-1H-pyrrole?
The computed IUPAC name of 2-Bromo-5-cyclopropyl-1-methyl-1H-pyrrole is 2-bromo-5-cyclopropyl-1-methylpyrrole.
What is the InChIKey of 2-Bromo-5-cyclopropyl-1-methyl-1H-pyrrole?
The InChIKey of 2-Bromo-5-cyclopropyl-1-methyl-1H-pyrrole is SRHDWSBXVQFVCS-UHFFFAOYSA-N.
What is the XLogP3-AA value of 2-Bromo-5-cyclopropyl-1-methyl-1H-pyrrole?
The XLogP3-AA value of 2-Bromo-5-cyclopropyl-1-methyl-1H-pyrrole is 2.3.
How many hydrogen bond donor counts does 2-Bromo-5-cyclopropyl-1-methyl-1H-pyrrole have?
2-Bromo-5-cyclopropyl-1-methyl-1H-pyrrole has 0 hydrogen bond donor counts.
What is the heavy atom count of 2-Bromo-5-cyclopropyl-1-methyl-1H-pyrrole?
The heavy atom count of 2-Bromo-5-cyclopropyl-1-methyl-1H-pyrrole is 10.
Is 2-Bromo-5-cyclopropyl-1-methyl-1H-pyrrole a canonicalized compound?
Yes, 2-Bromo-5-cyclopropyl-1-methyl-1H-pyrrole is a canonicalized compound.
What is the formal charge of 2-Bromo-5-cyclopropyl-1-methyl-1H-pyrrole?
The formal charge of 2-Bromo-5-cyclopropyl-1-methyl-1H-pyrrole is 0.
How many rotatable bond counts does 2-Bromo-5-cyclopropyl-1-methyl-1H-pyrrole have?
2-Bromo-5-cyclopropyl-1-methyl-1H-pyrrole has 1 rotatable bond count.
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