1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-methoxy-4-nitroaniline

2.1.2 InChI

InChI=1S/C7H8N2O3/c1-12-7-4-5(8)2-3-6(7)9(10)11/h2-4H,8H2,1H3

2.1.3 InChI Key

JVUHWSGOORVDML-UHFFFAOYSA-N

2.1.4 Canonical SMILES

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

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 16292-88-9

2. Benzenamine, 3-methoxy-4-nitro-

3. 3-methoxy-4-nitrobenzenamine

4. Mfcd06661773

5. Schembl358064

6. 3-methoxy-4-nitro-phenylamine

7. Dtxsid00373125

8. Amy39256

9. Cs-m0192

10. Zb0553

11. Akos004910300

12. As-10599

13. Sy111706

14. Db-064478

15. A22610

16. En300-109120

17. 3-methoxy-4-nitrobenzenamine;3-methoxy-4-nitroaniline

2.3 Create Date

2005-07-19

3 Chemical and Physical Properties

Molecular Formula	C₇H₈N₂O₃
Molecular Weight	168.15 g/mol
XLogP3	1.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	81.1
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

CAS 16292-88-9