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100141-43-3 | Propanamide, 3-chloro-N-(2,4,6-trimethylphenyl)-
CAS No: 100141-43-3 Catalog No: AG00012T MDL No:MFCD03385087
Product Description
Catalog Number:
AG00012T
Chemical Name:
Propanamide, 3-chloro-N-(2,4,6-trimethylphenyl)-
CAS Number:
100141-43-3
Molecular Formula:
C12H16ClNO
Molecular Weight:
225.7145
MDL Number:
MFCD03385087
IUPAC Name:
3-chloro-N-(2,4,6-trimethylphenyl)propanamide
InChI:
InChI=1S/C12H16ClNO/c1-8-6-9(2)12(10(3)7-8)14-11(15)4-5-13/h6-7H,4-5H2,1-3H3,(H,14,15)
InChI Key:
QQSDUFSTDSMUBD-UHFFFAOYSA-N
SMILES:
ClCCC(=O)Nc1c(C)cc(cc1C)C
Properties
Complexity:
208
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:
3
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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