151103-09-2

Synopsis, Chemistry

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Also known as: 151103-09-2, 4-(difluoromethoxy)-3-(cyclopropylmethoxy)benzaldehyde, 4-(difluoromethoxy)-3-(cyclopropylmethoxy)-benzaldehyde, Benzaldehyde, 3-(cyclopropylmethoxy)-4-(difluoromethoxy)-, Roflumilast intermediate a, Mfcd07779381

Molecular Formula

C₁₂H₁₂F₂O₃

Molecular Weight

242.22 g/mol

InChI Key

AHVVCELVGCPYGI-UHFFFAOYSA-N

1 2D Structure

151103-09-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzaldehyde

2.1.2 InChI

InChI=1S/C12H12F2O3/c13-12(14)17-10-4-3-9(6-15)5-11(10)16-7-8-1-2-8/h3-6,8,12H,1-2,7H2

2.1.3 InChI Key

AHVVCELVGCPYGI-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CC1COC2=C(C=CC(=C2)C=O)OC(F)F

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 151103-09-2

2. 4-(difluoromethoxy)-3-(cyclopropylmethoxy)benzaldehyde

3. 4-(difluoromethoxy)-3-(cyclopropylmethoxy)-benzaldehyde

4. Benzaldehyde, 3-(cyclopropylmethoxy)-4-(difluoromethoxy)-

5. Roflumilast Intermediate A

6. Mfcd07779381

7. 3-(cyclopropylmethoxy)-4-(difluoromethoxy)-benzaldehyde

8. 3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzaldehyde;roflumilast Intermediate

9. Roflumilast Intermediate

10. Schembl832611

11. Dtxsid10597012

12. Bcp07145

13. Zinc59796790

14. Akos015891175

15. Am84469

16. Cs-w006995

17. Ac-29997

18. Ds-14538

19. Sy042624

20. Ft-0660889

21. A24676

22. 3-cyclopropylmethoxy-4difluoromethoxybenzaldehyde

23. 103d092

24. 3-cyclopropylmethoxy 4-difluoromethoxy Benzaldehyde

25. 3-cyclopropylmethoxy-4-difluoromethoxy Benzaldehyde

26. 3-cyclopropylmethoxy-4-difluoromethoxybenzaldehyde

27. A1-00023

28. J-513714

2.3 Create Date

2007-12-04

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₁₂F₂O₃
Molecular Weight	242.22 g/mol
XLogP3	3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	242.07545056 g/mol
Monoisotopic Mass	242.07545056 g/mol
Topological Polar Surface Area	35.5 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	256
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