CAS 1017183-70-8

1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-(4-fluorophenyl)-2-methylpropanoyl chloride

2.1.2 InChI

InChI=1S/C10H10ClFO/c1-7(10(11)13)6-8-2-4-9(12)5-3-8/h2-5,7H,6H2,1H3

2.1.3 InChI Key

HJOAOPVBPDCOFZ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(CC1=CC=C(C=C1)F)C(=O)Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 3-(4-fluorophenyl)-2-methylpropanoyl Chloride

2. 1017183-70-8

3. Ec 426-370-7

4. Dtxsid30893609

5. Mfcd09894790

6. Akos015945847

7. 3-(4-fluorophenyl)-2-methylpropanoylchloride

8. J-650238

2.3 Create Date

2008-02-29

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₀ClFO
Molecular Weight	200.64 g/mol
XLogP3	3.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	200.0404208 g/mol
Monoisotopic Mass	200.0404208 g/mol
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	176
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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