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CAS 1017183-70-8
PharmaCompass
CAS 1017183-70-8
Also known as: 1017183-70-8, J-650238, 3-(4-fluorophenyl)-2-methylpropionylchloride, Molport-003-742-085, Akos015945847, Fch1395111
Molecular Formula
C10H10ClFO
Molecular Weight
200.637  g/mol
InChI Key
HJOAOPVBPDCOFZ-UHFFFAOYSA-N

1 2D Structure

CAS 1017183-70-8

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. 1017183-70-8

2. J-650238

3. 3-(4-fluorophenyl)-2-methylpropionylchloride

4. Molport-003-742-085

5. Akos015945847

6. Fch1395111

7. Mcule-3149956298

8. Or049977

9. Kb-309890

2.3 Create Date
2008-02-29
3 Chemical and Physical Properties
Molecular Weight 200.637 g/mol
Molecular Formula C10H10ClFO
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass200.04 g/mol
Monoisotopic Mass200.04 g/mol
Topological Polar Surface Area17.1 A^2
Heavy Atom Count13
Formal Charge0
Complexity176
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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