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2D Structure
Also known as: 61440-60-6, 3-(4-chlorophenyl)propyl mesylate, Mfcd18205957, 3-(4-chlorophenyl)propyl methane sulfonate, Schembl1334286, Npankszvboapfp-uhfffaoysa-n
Molecular Formula
C10H13ClO3S
Molecular Weight
248.73  g/mol
InChI Key
NPANKSZVBOAPFP-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
3-(4-chlorophenyl)propyl methanesulfonate
2.1.2 InChI
InChI=1S/C10H13ClO3S/c1-15(12,13)14-8-2-3-9-4-6-10(11)7-5-9/h4-7H,2-3,8H2,1H3
2.1.3 InChI Key
NPANKSZVBOAPFP-UHFFFAOYSA-N
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 61440-60-6

2. 3-(4-chlorophenyl)propyl Mesylate

3. Mfcd18205957

4. 3-(4-chlorophenyl)propyl Methane Sulfonate

5. Schembl1334286

6. Npankszvboapfp-uhfffaoysa-n

7. 3-(p-chlorophenyl)propanol O-mesylate

8. Akos024462318

9. Gs-0623

10. 3-(4-chlorophenyl)propylmethanesulfonate

11. Da-25176

12. 3-(4-chlorophenyl)-1-propanol Methanesulfonate

13. 3-(4-chlorophenyl)propyl Mesylate,3-(4-chlorophenyl)propyl Methanesulfonate,3-(p-chlorophenyl)propan-1-yl Methanesulfonate,3-(p-chlorophenyl)propyl Mesylate

2.3 Create Date
2007-02-08
3 Chemical and Physical Properties
Molecular Weight 248.73 g/mol
Molecular Formula C10H13ClO3S
XLogP32.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass Da
Monoisotopic Mass Da
Topological Polar Surface Area51.8
Heavy Atom Count15
Formal Charge0
Complexity263
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1