N-Ethyl 5-bromo-2-nitroaniline - CAS 813448-98-5
Catalog: |
BB065845 |
Product Name: |
N-Ethyl 5-bromo-2-nitroaniline |
CAS: |
813448-98-5 |
Synonyms: |
5-Bromo-N-ethyl-2-nitroaniline; N-Ethyl 5-bromo-2-nitroaniline; (5-Bromo-2-nitro-phenyl)-ethyl-amine; 4-bromo-2-(ethylamino)-nitrobenzene |
IUPAC Name: | 5-bromo-N-ethyl-2-nitroaniline |
Description: | N-Ethyl 5-bromo-2-nitroaniline |
Molecular Weight: | 245.07 |
Molecular Formula: | C8H9BrN2O2 |
Canonical SMILES: | CCNC1=C(C=CC(=C1)Br)[N+](=O)[O-] |
InChI: | InChI=1S/C8H9BrN2O2/c1-2-10-7-5-6(9)3-4-8(7)11(12)13/h3-5,10H,2H2,1H3 |
InChI Key: | CLDFNRWDFOWGLC-UHFFFAOYSA-N |
Complexity: | 184 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 243.98474 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 243.98474 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 57.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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