CAS 1365970-41-7

1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-chloro-3-(1,1-difluoroprop-2-enyl)quinoxaline

2.1.2 InChI

InChI=1S/C11H7ClF2N2/c1-2-11(13,14)9-10(12)16-8-6-4-3-5-7(8)15-9/h2-6H,1H2

2.1.3 InChI Key

YCGNJFWMEASNEB-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C=CC(C1=NC2=CC=CC=C2N=C1Cl)(F)F

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1365970-41-7

2. 2-chloro-3-(1,1-difluoroprop-2-en-1-yl)quinoxaline

3. Schembl789276

2.3 Create Date

2015-02-02

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₇ClF₂N₂
Molecular Weight	240.63 g/mol
XLogP3	3.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	240.0265822 g/mol
Monoisotopic Mass	240.0265822 g/mol
Topological Polar Surface Area	25.8 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	273
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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