CAS
930785-40-3 Purity
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930785-40-3 Purity
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2-Pyrazineacetic acid,6-chloro-
CAS
930798-25-7
Catalog Number
ACM930798257
Category
Other Products
Molecular Weight
172.569100 [g/mol]
Molecular Formula
C6H5ClN2O2
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Specification
Synonyms
(6-CHLOROPYRAZIN-2-YL)ACETIC ACID, 930798-25-7, 2-(6-chloropyrazin-2-yl)acetic acid, AGN-PC-00SCMV, CTK8B6066, MolPort-009-197-985, ANW-52389, AKOS006312733, QC-6792, RP23493, AK-26671, BR-26671, KB-146039, FT-0650256, W9585
IUPAC Name
2-(6-chloropyrazin-2-yl)acetic acid
InChI Key
GKCGKFUOTLQOGO-UHFFFAOYSA-N
Boiling Point
317.2ºC at 760 mmHg
Flash Point
145.6ºC
Density
1.497g/cm³
Exact Mass
172.00400
H-Bond Acceptor
4
H-Bond Donor
1
What is the molecular formula of 2-Pyrazineacetic acid, 6-chloro as per the reference?
The molecular formula of 2-Pyrazineacetic acid, 6-chloro is C6H5ClN2O2.
What is the molecular weight of 2-Pyrazineacetic acid, 6-chloro according to PubChem?
The molecular weight of 2-Pyrazineacetic acid, 6-chloro is 172.57 g/mol.
What is the IUPAC name of 2-Pyrazineacetic acid, 6-chloro?
The IUPAC name of 2-Pyrazineacetic acid, 6-chloro is 2-(6-chloropyrazin-2-yl)acetic acid.
What is the Canonical SMILES representation of 2-Pyrazineacetic acid, 6-chloro?
The Canonical SMILES representation of 2-Pyrazineacetic acid, 6-chloro is C1=C(N=C(C=N1)Cl)CC(=O)O.
What is the InChIKey of 2-Pyrazineacetic acid, 6-chloro computed by PubChem?
The InChIKey of 2-Pyrazineacetic acid, 6-chloro is GKCGKFUOTLQOGO-UHFFFAOYSA-N.
What is the XLogP3 value for 2-Pyrazineacetic acid, 6-chloro according to PubChem?
The XLogP3 value for 2-Pyrazineacetic acid, 6-chloro is 0.1.
How many hydrogen bond donor counts are there in 2-Pyrazineacetic acid, 6-chloro?
There is 1 hydrogen bond donor count in 2-Pyrazineacetic acid, 6-chloro.
How many hydrogen bond acceptor counts are there in 2-Pyrazineacetic acid, 6-chloro?
There are 4 hydrogen bond acceptor counts in 2-Pyrazineacetic acid, 6-chloro.
What is the topological polar surface area of 2-Pyrazineacetic acid, 6-chloro?
The topological polar surface area of 2-Pyrazineacetic acid, 6-chloro is 63.1 Ų.
Is the compound canonicalized according to PubChem?
Yes, the compound is canonicalized according to PubChem.
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