CAS
927800-62-2 Purity
96%
927800-62-2 Purity
96%
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4-Bromo-8-chloroquinoline-3-carboxylic acid ethyl ester
CAS
927800-77-9
Catalog Number
ACM927800779
Category
Other Products
Molecular Weight
314.56
Molecular Formula
C12H9BrClNO2
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Specification
Synonyms
4-BROMO-8-CHLOROQUINOLINE-3-CARBOXYLIC ACID ETHYL ESTER
IUPAC Name
ethyl 4-bromo-8-chloroquinoline-3-carboxylate
Canonical SMILES
CCOC(=O)C1=CN=C2C(=C1Br)C=CC=C2Cl
InChI Key
PTGMNGULZYMPCN-UHFFFAOYSA-N
Boiling Point
385.7ºC at 760 mmHg
Flash Point
187.1ºC
Density
1.578g/cm³
Exact Mass
312.95100
H-Bond Acceptor
3
H-Bond Donor
0
What is the molecular formula of 4-Bromo-8-chloroquinoline-3-carboxylic acid ethyl ester according to the reference?
The molecular formula is C12H9BrClNO2.
When was 4-Bromo-8-chloroquinoline-3-carboxylic acid ethyl ester created and modified according to the reference?
It was created on 2007-11-13 and modified on 2023-12-30.
What is the IUPAC name of 4-Bromo-8-chloroquinoline-3-carboxylic acid ethyl ester?
The IUPAC name is ethyl 4-bromo-8-chloroquinoline-3-carboxylate.
What is the InChI key of 4-Bromo-8-chloroquinoline-3-carboxylic acid ethyl ester?
The InChI key is PTGMNGULZYMPCN-UHFFFAOYSA-N.
What is the molecular weight of 4-Bromo-8-chloroquinoline-3-carboxylic acid ethyl ester?
The molecular weight is 314.56 g/mol.
How many hydrogen bond acceptor counts does 4-Bromo-8-chloroquinoline-3-carboxylic acid ethyl ester have?
It has 3 hydrogen bond acceptor counts.
What is the topological polar surface area of 4-Bromo-8-chloroquinoline-3-carboxylic acid ethyl ester?
The topological polar surface area is 39.2 Å2.
How many rotatable bond counts does 4-Bromo-8-chloroquinoline-3-carboxylic acid ethyl ester have?
It has 3 rotatable bond counts.
Is the compound of 4-Bromo-8-chloroquinoline-3-carboxylic acid ethyl ester canonicalized?
Yes, the compound is canonicalized.
What is the exact mass and monoistopic mass of 4-Bromo-8-chloroquinoline-3-carboxylic acid ethyl ester?
The exact mass and monoistopic mass is 312.95052 g/mol.
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