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1178399-29-5 | 2-Chloro-N-cyclopropyl-N-(3-methyl-benzyl)-acetamide
CAS No: 1178399-29-5 Catalog No: AG01F8EO MDL No:
Product Description
Catalog Number:
AG01F8EO
Chemical Name:
2-Chloro-N-cyclopropyl-N-(3-methyl-benzyl)-acetamide
CAS Number:
1178399-29-5
Molecular Formula:
C13H16ClNO
Molecular Weight:
237.7252
IUPAC Name:
2-chloro-N-cyclopropyl-N-[(3-methylphenyl)methyl]acetamide
InChI:
InChI=1S/C13H16ClNO/c1-10-3-2-4-11(7-10)9-15(12-5-6-12)13(16)8-14/h2-4,7,12H,5-6,8-9H2,1H3
InChI Key:
QSFZRYOIAJDCEQ-UHFFFAOYSA-N
SMILES:
ClCC(=O)N(C1CC1)Cc1cccc(c1)C
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.092g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.727g/mol
Monoisotopic Mass:
237.092g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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