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7399-57-7 | 2-(4-chloro-2-methyl-phenoxy)acetamide
CAS No: 7399-57-7 Catalog No: AG005AFD MDL No:
Product Description
Catalog Number:
AG005AFD
Chemical Name:
2-(4-chloro-2-methyl-phenoxy)acetamide
CAS Number:
7399-57-7
Molecular Formula:
C9H10ClNO2
Molecular Weight:
199.6342
IUPAC Name:
2-(4-chloro-2-methylphenoxy)acetamide
InChI:
InChI=1S/C9H10ClNO2/c1-6-4-7(10)2-3-8(6)13-5-9(11)12/h2-4H,5H2,1H3,(H2,11,12)
InChI Key:
GHAWJVBLTIWITR-UHFFFAOYSA-N
SMILES:
NC(=O)COc1ccc(cc1C)Cl
EC Number:
230-999-0
NSC Number:
54419
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.04g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
199.634g/mol
Monoisotopic Mass:
199.04g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| 2-(4-Iodo-phen-oxy)acetamide. | Acta crystallographica. Section E, Structure reports online 20110801 |
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