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17321-63-0

17321-63-0 | Acetic acid, 2-chloro-, 4-(acetylamino)phenyl ester

CAS No: 17321-63-0 Catalog No: AG001YPU MDL No:

Product Description

Catalog Number:
AG001YPU
Chemical Name:
Acetic acid, 2-chloro-, 4-(acetylamino)phenyl ester
CAS Number:
17321-63-0
Molecular Formula:
C10H10ClNO3
Molecular Weight:
227.6443
IUPAC Name:
(4-acetamidophenyl) 2-chloroacetate
InChI:
InChI=1S/C10H10ClNO3/c1-7(13)12-8-2-4-9(5-3-8)15-10(14)6-11/h2-5H,6H2,1H3,(H,12,13)
InChI Key:
XUUVNQDYDVGMBF-UHFFFAOYSA-N
SMILES:
ClCC(=O)Oc1ccc(cc1)NC(=O)C

Properties

Complexity:
237  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.035g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
227.644g/mol
Monoisotopic Mass:
227.035g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  

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