CAS 70978-37-9

1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-(azidomethyl)-4-methoxybenzene

2.1.2 InChI

InChI=1S/C8H9N3O/c1-12-8-4-2-7(3-5-8)6-10-11-9/h2-5H,6H2,1H3

2.1.3 InChI Key

IAKGGJYLHBHSQD-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC1=CC=C(C=C1)CN=[N+]=[N-]

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 70978-37-9

2. 4-methoxybenzyl Azide

3. Benzene, 1-(azidomethyl)-4-methoxy-

4. Mfcd11637170

5. 4-(azidomethyl)anisole

6. P-anisyl Azide

7. 4-methoxybenzylazide

8. P-methoxybenzyl Azide

9. Para-methoxy Benzyl Azide

10. 1-azidomethyl-4-methoxy-benzene

11. Chembl3236139

12. Schembl13547438

13. Dtxsid60448727

14. Vca97837

15. Zinc34567104

16. Akos009452352

17. Bs-13672

18. Sy184504

19. En300-66144

20. D87636

21. A898160

22. F2157-0496

2.3 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₈H₉N₃O
Molecular Weight	163.18 g/mol
XLogP3	2.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	163.074561919 g/mol
Monoisotopic Mass	163.074561919 g/mol
Topological Polar Surface Area	23.6 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	169
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

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