1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-(chloromethyl)quinazoline

2.1.2 InChI

InChI=1S/C9H7ClN2/c10-5-9-11-6-7-3-1-2-4-8(7)12-9/h1-4,6H,5H2

2.1.3 InChI Key

ZTXZPRVWTCOQNC-UHFFFAOYSA-N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 6148-18-1

2. 2-chloromethylquinazoline

3. Mfcd13189671

4. Quinazoline, 2-(chloromethyl)-

5. 2-(chloromethyl)-quinazoline

6. Quinazoline, 2-chloromethyl-

7. Schembl874900

8. Ztxzprvwtcoqnc-uhfffaoysa-n

9. Ac1447

10. Akos027256980

11. Ab68878

12. Ds-10196

13. Sy027936

14. Db-072966

15. Cs-0085236

2.3 Create Date

2007-02-09

3 Chemical and Physical Properties

Molecular Formula	C₉H₇ClN₂
Molecular Weight	178.62 g/mol
XLogP3	2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	25.8
Heavy Atom Count	12
Formal Charge	0
Complexity	151
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

2-(Chloromethyl)quinazoline