Home Other Building Blocks 3-Chloro-n-(4-isopropylphenyl)propanamide

3-Chloro-n-(4-isopropylphenyl)propanamide

CAS No.:
20331-13-9
Catalog Number:
AG0028TO
Molecular Formula:
C12H16ClNO
Molecular Weight:
225.7145
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Product Description
Catalog Number:
AG0028TO
Chemical Name:
3-Chloro-n-(4-isopropylphenyl)propanamide
CAS Number:
20331-13-9
Molecular Formula:
C12H16ClNO
Molecular Weight:
225.7145
MDL Number:
MFCD01336907
IUPAC Name:
3-chloro-N-(4-propan-2-ylphenyl)propanamide
InChI:
InChI=1S/C12H16ClNO/c1-9(2)10-3-5-11(6-4-10)14-12(15)7-8-13/h3-6,9H,7-8H2,1-2H3,(H,14,15)
InChI Key:
MEAPRSDUXBHXGD-UHFFFAOYSA-N
SMILES:
ClCCC(=O)Nc1ccc(cc1)C(C)C
Properties
Complexity:
198  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.092g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
225.716g/mol
Monoisotopic Mass:
225.092g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties