2-(Boc-amino)-4-methoxy-1-nitrobenzene - CAS 185428-55-1
Catalog: |
BB014227 |
Product Name: |
2-(Boc-amino)-4-methoxy-1-nitrobenzene |
CAS: |
185428-55-1 |
Synonyms: |
N-(5-methoxy-2-nitrophenyl)carbamic acid tert-butyl ester; tert-butyl N-(5-methoxy-2-nitrophenyl)carbamate |
IUPAC Name: | tert-butyl N-(5-methoxy-2-nitrophenyl)carbamate |
Description: | 2-(Boc-amino)-4-methoxy-1-nitrobenzene (CAS# 185428-55-1) is a useful research chemical. |
Molecular Weight: | 268.27 |
Molecular Formula: | C12H16N2O5 |
Canonical SMILES: | CC(C)(C)OC(=O)NC1=C(C=CC(=C1)OC)[N+](=O)[O-] |
InChI: | InChI=1S/C12H16N2O5/c1-12(2,3)19-11(15)13-9-7-8(18-4)5-6-10(9)14(16)17/h5-7H,1-4H3,(H,13,15) |
InChI Key: | IGYXAKCOMRSREX-UHFFFAOYSA-N |
LogP: | 3.48720 |
Publication Number | Title | Priority Date |
AU-2009261153-A1 | Heterocyclic compound and use thereof | 20080619 |
AU-2009261153-B2 | Heterocyclic compound and use thereof | 20080619 |
AU-2014216020-A1 | Heterocyclic compound and use thereof | 20080619 |
AU-2014216020-B2 | Heterocyclic compound and use thereof | 20080619 |
CA-2728476-A1 | Heterocyclic carboxamide compounds and their use in the prophylaxis or treatment of hypertension | 20080619 |
Complexity: | 334 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 268.10592162 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 268.10592162 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 93.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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