2-Chloro-1- naphthalenamine - CAS 13711-39-2
Catalog: |
BB069894 |
Product Name: |
2-Chloro-1- naphthalenamine |
CAS: |
13711-39-2 |
Synonyms: |
2-Chloro-1-naphthylamine;1-Amino-2-chloronaphthalene |
IUPAC Name: | 2-chloronaphthalen-1-amine |
Description: | 2-Chloro-1- naphthalenamine is an intermediate in the synthesis of 1,2-Dichloronaphthalene (D436670), an organic pollutant found in wastewater. |
Molecular Weight: | 177.63 |
Molecular Formula: | C10H8ClN |
Canonical SMILES: | C1=CC=C2C(=C1)C=CC(=C2N)Cl |
InChI: | InChI=1S/C10H8ClN/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-6H,12H2 |
InChI Key: | UWIWGZCNYRBVJL-UHFFFAOYSA-N |
References: | Ryu, J., et. al. Environ. Sci. Technol., 47, 2394 (2013). |
Complexity: | 160 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 177.034527 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 177.034527 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 26Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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