CAS
92513-28-5 Purity
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92513-28-5 Purity
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6-Bromo-2-methylquinoline-3-carboxylic acid
CAS
92513-39-8
Catalog Number
ACM92513398
Category
Other Products
Molecular Weight
266.09
Molecular Formula
C11H8BrNO2
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Specification
Synonyms
6-Bromo-2-methylquinoline-3-carboxylic acid, 92513-39-8, AGN-PC-01A9OS, CTK8F7074, AB52296, AG-L-64298, KB-247798, 3-Quinolinecarboxylic acid, 6-bromo-2-methyl-
IUPAC Name
6-bromo-2-methylquinoline-3-carboxylic acid
Canonical SMILES
CC1=C(C=C2C=C(C=CC2=N1)Br)C(=O)O
InChI Key
SUMQBGSBJLFVKS-UHFFFAOYSA-N
Boiling Point
394.8ºC at 760 mmHg
Flash Point
192.6ºC
Density
1.644g/cm³
Exact Mass
264.97400
H-Bond Acceptor
3
H-Bond Donor
1
What is the molecular formula of 6-Bromo-2-methylquinoline-3-carboxylic acid?
The molecular formula is C11H8BrNO2.
When was 6-Bromo-2-methylquinoline-3-carboxylic acid created in PubChem?
It was created on November 13, 2007.
What is the molecular weight of 6-Bromo-2-methylquinoline-3-carboxylic acid?
The molecular weight is 266.09 g/mol.
What is the IUPAC name of 6-Bromo-2-methylquinoline-3-carboxylic acid?
The IUPAC name is 6-bromo-2-methylquinoline-3-carboxylic acid.
What is the Canonical SMILES representation of 6-Bromo-2-methylquinoline-3-carboxylic acid?
The Canonical SMILES is CC1=C(C=C2C=C(C=CC2=N1)Br)C(=O)O.
How many hydrogen bond donor counts does 6-Bromo-2-methylquinoline-3-carboxylic acid have?
It has 1 hydrogen bond donor count.
What is the XLogP3-AA value of 6-Bromo-2-methylquinoline-3-carboxylic acid?
The XLogP3-AA value is 2.8.
What is the topological polar surface area of 6-Bromo-2-methylquinoline-3-carboxylic acid?
The topological polar surface area is 50.2 Ų.
How many rotatable bond counts does 6-Bromo-2-methylquinoline-3-carboxylic acid have?
It has 1 rotatable bond count.
Is 6-Bromo-2-methylquinoline-3-carboxylic acid a canonicalized compound in PubChem?
Yes, it is a canonicalized compound in PubChem.
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