| CAS Number | 929000-46-4 |
| Catalog Number | AG003J4K(AGN-PC-0WNOIU) |
| Chemical Name | 3-Bromo-N-(3-chloropropyl)benzenesulfonamide |
| IUPAC Name | 3-bromo-N-(3-chloropropyl)benzenesulfonamide |
| InChI | InChI=1S/C9H11BrClNO2S/c10-8-3-1-4-9(7-8)15(13,14)12-6-2-5-11/h1,3-4,7,12H,2,5-6H2 |
| InChI Key | INZZPTJKKBQFPE-UHFFFAOYSA-N |
| MDL Number | MFCD09258645 |
| Molecular Formula | C9H11BrClNO2S |
| Molecular Weight | 312.6111 |
| SMILES | O=S(C1=CC=CC(Br)=C1)(NCCCCl)=O |
| Synonyms | 3-Bromo-N-(3-chloropropyl)benzenesulfonamide,
929000-46-4,
ACMC-209rir,
CTK5H1858,
DTXSID80650320,
ZX-AT012118,
ANW-39937,
MFCD09258645,
OR3651,
ZINC16123708,
AKOS009289263,
RTR-029117,
TR-029117,
V9224,
3-Bromo-N-(3-chloropropyl)benzenesulphonamide,
B-5201,
3-Bromo-N-(3-chloropropyl)benzene-1-sulfonamide,
I01-11131,
C9H11BrClNO2S,
|
| Complexity | 278 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 310.938g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 312.606g/mol |
| Monoisotopic Mass | 310.938g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 54.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
| Symbol: |   |
|
Hazard Class
|
6.1
|
|
Hazard statements
|
H301-H311-H331-H341
|
|
Packing Group
|
Ⅲ
|
|
Precautionary statements
|
P201-P202-P261-P264-P270-P271-P280-P302+P352-P304+P340-P308+P313-P310-P330-P361-P403+P233-P405-P501
|
|
UN Code
|
UN 2811
|
Certificate of Analysis
Lot Number