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CAS 61440-60-6

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CHEMISTRY

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Chemistry

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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

CAS 61440-60-6

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 Formula	C₁₀H₁₃ClO₃S
Molecular Weight	248.73 g/mol
XLogP3	2.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	51.8
Heavy Atom Count	15
Formal Charge	0
Complexity	263
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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