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Structure

1-Cyclopropyl-6,7,8-trifluoro-1,4-dihydro-4-oxoq

CAS
94695-52-0
Catalog Number
ACM94695520
Category
Other Products
Molecular Weight
283.204
Molecular Formula
C13H8F3NO3

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Specification

Synonyms
1-Cyclopropyl-6,7,8-trifluoro-1,4-dihydro-4-oxoq;1-Cyclopropyl-6,7,8-triflour-4-oxo-1,4-dihydro-quinolin-3-carbonsure;1-CYCLOPROPYL-6,7,8-TRIFLUORO-4-OXO-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACIDLEVOFLOXACIN
Appearance
Yellow Solid
What is the molecular formula of the compound?

The molecular formula of the compound is C13H8F3NO3.

What is the IUPAC name of the compound?

The IUPAC name of the compound is 1-cyclopropyl-6,7,8-trifluoro-4-oxoquinoline-3-carboxylic acid.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C13H8F3NO3/c14-8-3-6-11(10(16)9(8)15)17(5-1-2-5)4-7(12(6)18)13(19)20/h3-5H,1-2H2,(H,19,20).

What is the InChIKey of the compound?

The InChIKey of the compound is NMASXYCNDJMMFR-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)F)F)F)C(=O)O.

What is the molecular weight of the compound?

The molecular weight of the compound is 283.20 g/mol.

How many hydrogen bond donor counts does the compound have?

The compound has 1 hydrogen bond donor count.

How many hydrogen bond acceptor counts does the compound have?

The compound has 7 hydrogen bond acceptor counts.

How many rotatable bond counts does the compound have?

The compound has 2 rotatable bond counts.

Is the compound canonicalized?

Yes, the compound is canonicalized.

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