CAS 124473-12-7

1 2D Structure

CAS 124473-12-7

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-(chloromethyl)-4-methoxy-3-methylpyridine

2.1.2 InChI

InChI=1S/C8H10ClNO/c1-6-7(5-9)10-4-3-8(6)11-2/h3-4H,5H2,1-2H3

2.1.3 InChI Key

UIRCDHHEYPUZGA-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=C(C=CN=C1CCl)OC

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 124473-12-7

2. 2-chloromethyl-4-methoxy-3-methylpyridine

3. Pyridine, 2-(chloromethyl)-4-methoxy-3-methyl-

4. 2-chloromethyl-3-methyl-4-methoxypyridine

5. Pyridine,2-(chloromethyl)-4-methoxy-3-methyl

6. Schembl3393106

7. Mfcd09859667

8. Zinc21982258

9. Akos006312344

10. Sy257938

11. 2-chloromethyl-3-methyl-4--methoxypyridine

12. F15214

2.3 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₈H₁₀ClNO
Molecular Weight	171.62 g/mol
XLogP3	1.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	171.0450916 g/mol
Monoisotopic Mass	171.0450916 g/mol
Topological Polar Surface Area	22.1 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	121
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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