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1353976-75-6 | 2-Chloro-N-(4-cyano-benzyl)-N-isopropyl-acetamide
CAS No: 1353976-75-6 Catalog No: AG01F99T MDL No:
Product Description
Catalog Number:
AG01F99T
Chemical Name:
2-Chloro-N-(4-cyano-benzyl)-N-isopropyl-acetamide
CAS Number:
1353976-75-6
Molecular Formula:
C13H15ClN2O
Molecular Weight:
250.7240
IUPAC Name:
2-chloro-N-[(4-cyanophenyl)methyl]-N-propan-2-ylacetamide
InChI:
InChI=1S/C13H15ClN2O/c1-10(2)16(13(17)7-14)9-12-5-3-11(8-15)4-6-12/h3-6,10H,7,9H2,1-2H3
InChI Key:
FRGAJEYUIWYBOO-UHFFFAOYSA-N
SMILES:
ClCC(=O)N(C(C)C)Cc1ccc(cc1)C#N
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.087g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.726g/mol
Monoisotopic Mass:
250.087g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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