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1353983-20-6 | 2-Chloro-N-(4-cyano-benzyl)-N-cyclopropyl-acetamide
CAS No: 1353983-20-6 Catalog No: AG01F8S4 MDL No:
Product Description
Catalog Number:
AG01F8S4
Chemical Name:
2-Chloro-N-(4-cyano-benzyl)-N-cyclopropyl-acetamide
CAS Number:
1353983-20-6
Molecular Formula:
C13H13ClN2O
Molecular Weight:
248.7081
IUPAC Name:
2-chloro-N-[(4-cyanophenyl)methyl]-N-cyclopropylacetamide
InChI:
InChI=1S/C13H13ClN2O/c14-7-13(17)16(12-5-6-12)9-11-3-1-10(8-15)2-4-11/h1-4,12H,5-7,9H2
InChI Key:
YAGMQPMJJHCAII-UHFFFAOYSA-N
SMILES:
ClCC(=O)N(C1CC1)Cc1ccc(cc1)C#N
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.072g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.71g/mol
Monoisotopic Mass:
248.072g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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