CAS
936125-96-1 Purity
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936125-96-1 Purity
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3-(6-Chloro-pyrazin-2-yl)benzoic acid
CAS
936138-14-6
Catalog Number
ACM936138146
Category
Other Products
Molecular Weight
234.638480 [g/mol]
Molecular Formula
C11H7ClN2O2
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Specification
Synonyms
3-(6-Chloropyrazin-2-yl)benzoic acid, 936138-14-6, AKOS016013329, 3-(6-Chloro-pyrazin-2-yl)-benzoic acid, AK128191, AM807612, KB-233365
IUPAC Name
3-(6-chloropyrazin-2-yl)benzoic acid
InChI Key
DLXPGGIBZPMKHR-UHFFFAOYSA-N
Exact Mass
234.02000
H-Bond Acceptor
4
H-Bond Donor
1
What is the molecular formula of the compound?
The molecular formula of the compound is C11H7ClN2O2.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 3-(6-chloropyrazin-2-yl)benzoic acid.
What is the molecular weight of the compound?
The molecular weight of the compound is 234.64 g/mol.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C11H7ClN2O2/c12-10-6-13-5-9(14-10)7-2-1-3-8(4-7)11(15)16/h1-6H,(H,15,16).
What is the InChIKey of the compound?
The InChIKey of the compound is DLXPGGIBZPMKHR-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is C1=CC(=CC(=C1)C(=O)O)C2=CN=CC(=N2)Cl.
What is the CAS number of the compound?
The CAS number of the compound is 936138-14-6.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 1.9.
How many hydrogen bond donor counts does the compound have?
The compound has 1 hydrogen bond donor count.
How many rotatable bond counts does the compound have?
The compound has 2 rotatable bond counts.
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CAS
936138-16-8 Purity
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936138-16-8 Purity
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