CAS 146330-68-9

1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-chloro-1-(5H-chromeno[2,3-b]pyridin-7-yl)propan-1-one

2.1.2 InChI

InChI=1S/C15H12ClNO2/c1-9(16)14(18)10-4-5-13-12(7-10)8-11-3-2-6-17-15(11)19-13/h2-7,9H,8H2,1H3

2.1.3 InChI Key

JGBGIEPSSRGFBG-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(C(=O)C1=CC2=C(C=C1)OC3=C(C2)C=CC=N3)Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 146330-68-9

2. 2-chloro-1-(5h-chromeno[2,3-b]pyridin-7-yl)propan-1-one

3. 2-chloro-1-(5h-chromeno(2,3-b)pyridin-7-yl)-1-propanone

4. Ac8871

5. Mfcd32068442

6. Sy253268

2.3 Create Date

2014-11-03

3 Chemical and Physical Properties

Molecular Formula	C₁₅H₁₂ClNO₂
Molecular Weight	273.71 g/mol
XLogP3	3.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	273.0556563 g/mol
Monoisotopic Mass	273.0556563 g/mol
Topological Polar Surface Area	39.2 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	349
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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