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1353955-72-2 | 2-Chloro-N-(3-fluoro-benzyl)-N-isopropyl-acetamide
CAS No: 1353955-72-2 Catalog No: AG01F903 MDL No:
Product Description
Catalog Number:
AG01F903
Chemical Name:
2-Chloro-N-(3-fluoro-benzyl)-N-isopropyl-acetamide
CAS Number:
1353955-72-2
Molecular Formula:
C12H15ClFNO
Molecular Weight:
243.7050
IUPAC Name:
2-chloro-N-[(3-fluorophenyl)methyl]-N-propan-2-ylacetamide
InChI:
InChI=1S/C12H15ClFNO/c1-9(2)15(12(16)7-13)8-10-4-3-5-11(14)6-10/h3-6,9H,7-8H2,1-2H3
InChI Key:
VFFAAOMCZIZCCH-UHFFFAOYSA-N
SMILES:
ClCC(=O)N(C(C)C)Cc1cccc(c1)F
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.083g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.706g/mol
Monoisotopic Mass:
243.083g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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