Methyl 3-(3-Chloropropylsulfonamido)benzoate - CAS 1154926-29-0
Catalog: |
BB003575 |
Product Name: |
Methyl 3-(3-Chloropropylsulfonamido)benzoate |
CAS: |
1154926-29-0 |
Synonyms: |
3-(3-chloropropylsulfonylamino)benzoic acid methyl ester; methyl 3-(3-chloropropylsulfonylamino)benzoate |
IUPAC Name: | methyl 3-(3-chloropropylsulfonylamino)benzoate |
Description: | Methyl 3-(3-Chloropropylsulfonamido)benzoate (CAS# 1154926-29-0 ) is a useful research chemical. |
Molecular Weight: | 291.75 |
Molecular Formula: | C11H14ClNO4S |
Canonical SMILES: | COC(=O)C1=CC(=CC=C1)NS(=O)(=O)CCCCl |
InChI: | InChI=1S/C11H14ClNO4S/c1-17-11(14)9-4-2-5-10(8-9)13-18(15,16)7-3-6-12/h2,4-5,8,13H,3,6-7H2,1H3 |
InChI Key: | IMALHOHJIPZRSK-UHFFFAOYSA-N |
Complexity: | 366 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 291.0332068 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 291.0332068 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 80.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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