N-Benzyl-5-methoxy-2-nitroaniline - CAS 498539-08-5
Catalog: |
BB073612 |
Product Name: |
N-Benzyl-5-methoxy-2-nitroaniline |
CAS: |
498539-08-5 |
Synonyms: |
N-(5-Methoxy-2-nitrophenyl)benzenemethanamine |
IUPAC Name: | N-benzyl-5-methoxy-2-nitroaniline |
Description: | N-Benzyl-5-methoxy-2-nitroaniline |
Molecular Weight: | 258.27 |
Molecular Formula: | C14H14N2O3 |
Canonical SMILES: | COC1=CC(=C(C=C1)[N+](=O)[O-])NCC2=CC=CC=C2 |
InChI: | InChI=1S/C14H14N2O3/c1-19-12-7-8-14(16(17)18)13(9-12)15-10-11-5-3-2-4-6-11/h2-9,15H,10H2,1H3 |
InChI Key: | UKAAVHGZDIRSEM-UHFFFAOYSA-N |
Complexity: | 287 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 258.10044231 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 258.10044231 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 67.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.8 |
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