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1183064-05-2 | 2-Chloro-N-cyclopropyl-N-(3-fluoro-benzyl)-acetamide
CAS No: 1183064-05-2 Catalog No: AG01F8ET MDL No:
Product Description
Catalog Number:
AG01F8ET
Chemical Name:
2-Chloro-N-cyclopropyl-N-(3-fluoro-benzyl)-acetamide
CAS Number:
1183064-05-2
Molecular Formula:
C12H13ClFNO
Molecular Weight:
241.6891
IUPAC Name:
2-chloro-N-cyclopropyl-N-[(3-fluorophenyl)methyl]acetamide
InChI:
InChI=1S/C12H13ClFNO/c13-7-12(16)15(11-4-5-11)8-9-2-1-3-10(14)6-9/h1-3,6,11H,4-5,7-8H2
InChI Key:
RLQGPZGFWAYDCB-UHFFFAOYSA-N
SMILES:
ClCC(=O)N(C1CC1)Cc1cccc(c1)F
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.067g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.69g/mol
Monoisotopic Mass:
241.067g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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