3-[(4-Chlorophenyl)sulfonyl]-5-methoxyaniline - CAS 832739-83-0
Catalog: |
BB045366 |
Product Name: |
3-[(4-Chlorophenyl)sulfonyl]-5-methoxyaniline |
CAS: |
832739-83-0 |
Synonyms: |
3-[(4-chlorophenyl)sulfonyl]-5-methoxyphenylamine; 3-(4-Chloro-benzenesulfonyl)-5-methoxy-phenylamine |
IUPAC Name: | 3-(4-chlorophenyl)sulfonyl-5-methoxyaniline |
Description: | 3-[(4-Chlorophenyl)sulfonyl]-5-methoxyaniline (CAS# 832739-83-0 ) is a useful research chemical. |
Molecular Weight: | 297.76 |
Molecular Formula: | C13H12ClNO3S |
Canonical SMILES: | COC1=CC(=CC(=C1)N)S(=O)(=O)C2=CC=C(C=C2)Cl |
InChI: | InChI=1S/C13H12ClNO3S/c1-18-11-6-10(15)7-13(8-11)19(16,17)12-4-2-9(14)3-5-12/h2-8H,15H2,1H3 |
InChI Key: | KEVFBGRKISZETC-UHFFFAOYSA-N |
Complexity: | 387 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 297.0226421 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 297.0226421 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 77.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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