Home Halogens 3'-chloroacetoacetanilide

3'-chloroacetoacetanilide

CAS No.:
2415-87-4
Catalog Number:
AG00C3WB
Molecular Formula:
C10H10ClNO2
Molecular Weight:
211.6449
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Product Description
Catalog Number:
AG00C3WB
Chemical Name:
3'-chloroacetoacetanilide
CAS Number:
2415-87-4
Molecular Formula:
C10H10ClNO2
Molecular Weight:
211.6449
MDL Number:
MFCD00018440
IUPAC Name:
N-(3-chlorophenyl)-3-oxobutanamide
InChI:
InChI=1S/C10H10ClNO2/c1-7(13)5-10(14)12-9-4-2-3-8(11)6-9/h2-4,6H,5H2,1H3,(H,12,14)
InChI Key:
MTPKMGABYQNMMG-UHFFFAOYSA-N
SMILES:
O=C(Nc1cccc(c1)Cl)CC(=O)C
EC Number:
219-328-2
NSC Number:
131343
Properties
Complexity:
230  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.04g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
211.645g/mol
Monoisotopic Mass:
211.04g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties