3-((4-Chlorophenoxy)methyl)aniline - CAS 1016681-15-4
Catalog: |
BB042955 |
Product Name: |
3-((4-Chlorophenoxy)methyl)aniline |
CAS: |
1016681-15-4 |
Synonyms: |
{3-[(4-Chlorophenoxy)methyl]phenyl}amine; 3-[(4-Cchlorophenoxy)methyl]phenylamine |
IUPAC Name: | 3-[(4-chlorophenoxy)methyl]aniline |
Description: | 3-((4-Chlorophenoxy)methyl)aniline (CAS# 1016681-15-4 ) is a useful research chemical. |
Molecular Weight: | 233.69 |
Molecular Formula: | C13H12ClNO |
Canonical SMILES: | C1=CC(=CC(=C1)N)COC2=CC=C(C=C2)Cl |
InChI: | InChI=1S/C13H12ClNO/c14-11-4-6-13(7-5-11)16-9-10-2-1-3-12(15)8-10/h1-8H,9,15H2 |
InChI Key: | KMLRTSYDMHTSJL-UHFFFAOYSA-N |
Complexity: | 204 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 233.0607417 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 233.0607417 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 35.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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