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17975-47-2

17975-47-2 | 5(4H)-Isoxazolone, 4-[(4-chlorophenyl)methylene]-3-methyl-

CAS No: 17975-47-2 Catalog No: AG00278V MDL No:

Product Description

Catalog Number:
AG00278V
Chemical Name:
5(4H)-Isoxazolone, 4-[(4-chlorophenyl)methylene]-3-methyl-
CAS Number:
17975-47-2
Molecular Formula:
C11H8ClNO2
Molecular Weight:
221.6397
IUPAC Name:
4-[(4-chlorophenyl)methylidene]-3-methyl-1,2-oxazol-5-one
InChI:
InChI=1S/C11H8ClNO2/c1-7-10(11(14)15-13-7)6-8-2-4-9(12)5-3-8/h2-6H,1H3
InChI Key:
XKTCNDWKBSLGGV-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)C=C1C(=NOC1=O)C

Properties

Complexity:
328  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.024g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.64g/mol
Monoisotopic Mass:
221.024g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
2.9  

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