CAS
903129-94-2 Purity
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903129-94-2 Purity
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![7-(tert-Butoxycarbonyl)-3-chloro-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylic acid](https://resource.alfa-chemistry.com/structure/903130-30-3.gif)
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Ethyl 3-chloro-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylate
CAS
903130-23-4
Catalog Number
ACM903130234
Category
Other Products
Molecular Weight
229.66
Molecular Formula
C9H12ClN3O2
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Specification
Synonyms
ETHYL 3-CHLORO-5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRAZINE-2-CARBOXYLATE;ethyl 3-chloro-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylate hydrochloride
IUPAC Name
ethyl 3-chloro-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylate
Canonical SMILES
CCOC(=O)C1=C(N2CCNCC2=N1)Cl
InChI Key
FSPLEMJWDPSQPC-UHFFFAOYSA-N
Boiling Point
425.2ºC at 760 mmHg
Flash Point
211ºC
Density
1.5g/cm³
Exact Mass
229.06200
H-Bond Acceptor
4
H-Bond Donor
1
What is the IUPAC name of the compound with PubChem CID 17998726?
The IUPAC name is ethyl 3-chloro-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylate.
What is the molecular formula of the compound?
The molecular formula is C9H12ClN3O2.
What is the molecular weight of the compound?
The molecular weight is 229.66 g/mol.
What is the InChIKey of the compound?
The InChIKey is FSPLEMJWDPSQPC-UHFFFAOYSA-N.
How many hydrogen bond donor counts does the compound have?
The compound has 1 hydrogen bond donor count.
How many hydrogen bond acceptor counts does the compound have?
The compound has 4 hydrogen bond acceptor counts.
What is the topological polar surface area of the compound?
The topological polar surface area is 56.2 Ų.
How many rotatable bond counts does the compound have?
The compound has 3 rotatable bond counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is 0.6.
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