1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-(2-chlorophenyl)acetaldehyde

2.1.2 InChI

InChI=1S/C8H7ClO/c9-8-4-2-1-3-7(8)5-6-10/h1-4,6H,5H2

2.1.3 InChI Key

NTLKDYQFUMXRNF-UHFFFAOYSA-N

2.1.4 Canonical SMILES

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

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 4251-63-2

2. (2-chlorophenyl)acetaldehyde

3. (2-chloro-phenyl)-acetaldehyde

4. 2-chlorophenylacetaldehyde

5. 2-(2-chlorophenyl)ethanal

6. O-chlorophenylacetaldehyde

7. (2-chlorophenyl)-acetaldehyde

8. Schembl168712

9. Ambz0299

10. Chembl4454631

11. Dtxsid40464001

12. Zinc2581070

13. Mfcd02261730

14. Akos011897130

15. Am85766

16. Fs-6490

17. Cs-0038107

18. W16822

2.3 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₈H₇ClO
Molecular Weight	154.59 g/mol
XLogP3	1.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	154.0185425 g/mol
Monoisotopic Mass	154.0185425 g/mol
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	114
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

CAS 4251-63-2