CAS
959244-16-7 Purity
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959244-16-7 Purity
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Methyl 6-chloro-1H-pyrrolo[3,2-b]pyridine-3-carboxylate
CAS
959245-12-6
Catalog Number
ACM959245126
Category
Other Products
Molecular Weight
210.617080 [g/mol]
Molecular Formula
C9H7ClN2O2
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Specification
Synonyms
METHYL 6-CHLORO-1H-PYRROLO[3,2-B]PYRIDINE-3-CARBOXYLATE, 959245-12-6, AG-H-94467, PubChem20923, SureCN9937275, CTK5H8424, AKOS015945663, AK-68155, KB-257680
IUPAC Name
methyl 6-chloro-1H-pyrrolo[3,2-b]pyridine-3-carboxylate
InChI Key
RESWVHCNJSPUGN-UHFFFAOYSA-N
Boiling Point
362.931ºC at 760 mmHg
Flash Point
173.295ºC
Density
1.453g/cm³
Exact Mass
210.02000
H-Bond Acceptor
3
H-Bond Donor
1
What is the molecular formula of Methyl 6-chloro-1H-pyrrolo[3,2-b]pyridine-3-carboxylate?
The molecular formula is C9H7ClN2O2.
What is the molecular weight of Methyl 6-chloro-1H-pyrrolo[3,2-b]pyridine-3-carboxylate?
The molecular weight is 210.62 g/mol.
What is the IUPAC Name of Methyl 6-chloro-1H-pyrrolo[3,2-b]pyridine-3-carboxylate?
The IUPAC Name is methyl 6-chloro-1H-pyrrolo[3,2-b]pyridine-3-carboxylate.
What is the InChI of Methyl 6-chloro-1H-pyrrolo[3,2-b]pyridine-3-carboxylate?
The InChI is InChI=1S/C9H7ClN2O2/c1-14-9(13)6-4-11-7-2-5(10)3-12-8(6)7/h2-4,11H,1H3.
What is the InChIKey of Methyl 6-chloro-1H-pyrrolo[3,2-b]pyridine-3-carboxylate?
The InChIKey is RESWVHCNJSPUGN-UHFFFAOYSA-N.
What is the Canonical SMILES of Methyl 6-chloro-1H-pyrrolo[3,2-b]pyridine-3-carboxylate?
The Canonical SMILES is COC(=O)C1=CNC2=C1N=CC(=C2)Cl.
What is the CAS number of Methyl 6-chloro-1H-pyrrolo[3,2-b]pyridine-3-carboxylate?
The CAS number is 959245-12-6.
How many hydrogen bond donor counts does Methyl 6-chloro-1H-pyrrolo[3,2-b]pyridine-3-carboxylate have?
It has 1 hydrogen bond donor count.
What is the XLogP3-AA value of Methyl 6-chloro-1H-pyrrolo[3,2-b]pyridine-3-carboxylate?
The XLogP3-AA value is 1.5.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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