CAS
915920-04-6 Purity
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915920-04-6 Purity
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[(5-Fluoro-1H-benzimidazol-2-yl)methoxy]-acetic acid
CAS
915920-11-5
Catalog Number
ACM915920115
Category
Other Products
Molecular Weight
224.188463 [g/mol]
Molecular Formula
C10H9FN2O3
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Specification
Synonyms
Ambnee4021750, MolPort-005-958-775, ALBB-000339, STK502239, [(5-fluoro-1H-benzimidazol-2-yl)methoxy]acetic acid, 915920-11-5
IUPAC Name
2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]acetic acid
Canonical SMILES
C1=CC2=C(C=C1F)NC(=N2)COCC(=O)O
InChI Key
GOLCDBPMTPLXOR-UHFFFAOYSA-N
Boiling Point
547.2ºC at 760 mmHg
Flash Point
284.7ºC
Density
1.498g/cm³
Exact Mass
224.06000
Hazard Statements
Xi
H-Bond Acceptor
5
H-Bond Donor
2
What is the molecular formula of the compound with PubChem CID 25218864?
The molecular formula is C10H9FN2O3.
When was the compound first created in PubChem?
The compound was first created in PubChem on April 14, 2009.
What is the InChI key for the compound?
The InChI key is GOLCDBPMTPLXOR-UHFFFAOYSA-N.
How many hydrogen bond donor count does the compound have?
The compound has 2 hydrogen bond donor counts.
What is the XLogP3-AA value for the compound?
The XLogP3-AA value is 0.9.
Is the compound canonicalized?
Yes, the compound is canonicalized.
What is the topological polar surface area of the compound?
The topological polar surface area is 75.2 Å2.
How many rotatable bond count does the compound have?
The compound has 4 rotatable bond counts.
What is the exact mass of the compound?
The exact mass is 224.05972032 g/mol.
How many covalently-bonded units does the compound have?
The compound has 1 covalently-bonded unit count.
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