1-(4-(Bis(2-chloroethyl)amino)phenyl)ethanone - CAS 20805-66-7
Catalog: |
BB073372 |
Product Name: |
1-(4-(Bis(2-chloroethyl)amino)phenyl)ethanone |
CAS: |
20805-66-7 |
Synonyms: |
1-(4-(Bis(2-chloroethyl)amino)phenyl)ethanone; 1-[4-[bis(2-chloroethyl)amino]phenyl]ethanone; Ethanone, 1-(4-(bis(2-chloroethyl)amino)phenyl)-; Ethanone, 1-[4-[bis(2-chloroethyl)amino]phenyl]- |
IUPAC Name: | 1-[4-[bis(2-chloroethyl)amino]phenyl]ethanone |
Description: | 1-(4-(Bis(2-chloroethyl)amino)phenyl)ethanone is a useful research chemical for organic synthesis and other chemical processes. |
Molecular Weight: | 260.16 |
Molecular Formula: | C12H15Cl2NO |
Canonical SMILES: | CC(=O)C1=CC=C(C=C1)N(CCCl)CCCl |
InChI: | InChI=1S/C12H15Cl2NO/c1-10(16)11-2-4-12(5-3-11)15(8-6-13)9-7-14/h2-5H,6-9H2,1H3 |
InChI Key: | KWFNQPQHPUCUAI-UHFFFAOYSA-N |
Complexity: | 209 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 259.0530695 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 259.0530695 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 20.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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