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20495-99-2 | 3-Chloropropionic anhydride
CAS No: 20495-99-2 Catalog No: AG01FFF1 MDL No:MFCD12404945
Product Description
Catalog Number:
AG01FFF1
Chemical Name:
3-Chloropropionic anhydride
CAS Number:
20495-99-2
Molecular Formula:
C6H8Cl2O3
Molecular Weight:
199.0319
MDL Number:
MFCD12404945
IUPAC Name:
3-chloropropanoyl 3-chloropropanoate
InChI:
InChI=1S/C6H8Cl2O3/c7-3-1-5(9)11-6(10)2-4-8/h1-4H2
InChI Key:
UQNMBHOXSQYAAC-UHFFFAOYSA-N
SMILES:
ClCCC(=O)OC(=O)CCCl
Properties
Complexity:
131
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.985g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.027g/mol
Monoisotopic Mass:
197.985g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
Literature
| Title | Journal |
|---|---|
| Synthesis of N4-(2-acetamido-2-deoxy-beta-D-glucopyranosyl)-L-asparagine analogues. n-Butyramide, 3-chloropropionamide, 3-aminopropionamide, and isovaleramide analogues. | Carbohydrate research 20010423 |
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