Ethyl (6-Chloro-2-nitro-3-pyridyl)carbamate - CAS 89660-16-2
Catalog: |
BB039559 |
Product Name: |
Ethyl (6-Chloro-2-nitro-3-pyridyl)carbamate |
CAS: |
89660-16-2 |
Synonyms: |
N-(6-chloro-2-nitro-3-pyridinyl)carbamic acid ethyl ester; ethyl N-(6-chloro-2-nitropyridin-3-yl)carbamate |
IUPAC Name: | ethyl N-(6-chloro-2-nitropyridin-3-yl)carbamate |
Description: | Ethyl (6-Chloro-2-nitro-3-pyridyl)carbamate (CAS# 89660-16-2 ) is a useful research chemical. |
Molecular Weight: | 245.62 |
Molecular Formula: | C8H8ClN3O4 |
Canonical SMILES: | CCOC(=O)NC1=C(N=C(C=C1)Cl)[N+](=O)[O-] |
InChI: | InChI=1S/C8H8ClN3O4/c1-2-16-8(13)10-5-3-4-6(9)11-7(5)12(14)15/h3-4H,2H2,1H3,(H,10,13) |
InChI Key: | SGTRCPLBAVBGBK-UHFFFAOYSA-N |
LogP: | 2.74840 |
Complexity: | 271 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 245.0203334 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 245.0203334 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 97 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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