| Formula |
C12H16ClNO5S |
| IUPAC Name |
4-[2-chloroethyl(2-methylsulfonyloxyethyl)amino]benzoic acid |
| Molecular Mass |
321.777 g·mol−1 |
| Heat of Formation |
-868.2 ± 16.7 kJ·mol−1 |
| Dipole Moment |
5.88 ± 1.08 D |
| Volume |
349.42 Å 3 |
| Surface Area |
322.3 Å 2 |
| HOMO Energy |
-8.78 ± 0.55 eV |
| LUMO Energy |
-0.47 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- 4-((2-chloroethyl) (2-mesyloxyethyl)amino)benzoic acid
- 4-((2-chloroethyl)(2-((methylsulfonyl)oxy)ethyl)amino)benzoic acid
- 4-(2-chloroethyl-(2-methylsulfonyloxyethyl)amino)benzoic acid
- 4-cema-benzoic acid
- benzoic acid, 4-((2-chloroethyl)(2-((methylsulfonyl)oxy)ethyl)amino)-
|
| CAS Number(s) |
|
| InChIKey |
ANWIGCCRMNYDJN-UHFFFAOYSA-N |
| QR Code |
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| Links |
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|
| DOI |
|
| Downloads |
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|
| Elements |
C
Cl
H
O
N
S
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