CAS 187543-87-9

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Also known as: 187543-87-9, 5,6-difluoro-o-anisaldehyde, Mfcd02093968, Benzaldehyde, 2,3-difluoro-6-methoxy-, 2-methoxy-5,6-difluorobenzaldehyde, 2,3-difluoro-6-methoxy-benzaldehyde

Molecular Formula

C₈H₆F₂O₂

Molecular Weight

172.13 g/mol

InChI Key

AKOJAYHBKACKNJ-UHFFFAOYSA-N

1 2D Structure

CAS 187543-87-9

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2,3-difluoro-6-methoxybenzaldehyde

2.1.2 InChI

InChI=1S/C8H6F2O2/c1-12-7-3-2-6(9)8(10)5(7)4-11/h2-4H,1H3

2.1.3 InChI Key

AKOJAYHBKACKNJ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC1=C(C(=C(C=C1)F)F)C=O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 187543-87-9

2. 5,6-difluoro-o-anisaldehyde

3. Mfcd02093968

4. Benzaldehyde, 2,3-difluoro-6-methoxy-

5. 2-methoxy-5,6-difluorobenzaldehyde

6. 2,3-difluoro-6-methoxy-benzaldehyde

7. Schembl911855

8. Dtxsid90378886

9. Akojayhbkacknj-uhfffaoysa-n

10. 2-methoxy-5,6-difluoro-benzaldehyde

11. Akos005063514

12. Cs-w017620

13. Ps-8672

14. 2,3-difluoro-6-(methyloxy)benzaldehyde

15. Ac-23840

16. Bp-11140

17. Sy050714

18. Am20080595

19. D3885

20. Ft-0609606

21. En300-7361166

22. A813155

23. J-506956

24. Z1201621607

2.3 Create Date

2005-07-19

3 Chemical and Physical Properties

Molecular Formula	C₈H₆F₂O₂
Molecular Weight	172.13 g/mol
XLogP3	1.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	26.3
Heavy Atom Count	12
Formal Charge	0
Complexity	163
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