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139920-32-4 | Butanamide, 2-cyano-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3,3-dimethyl-
CAS No: 139920-32-4 Catalog No: AG001BTO MDL No:
Product Description
Catalog Number:
AG001BTO
Chemical Name:
Butanamide, 2-cyano-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3,3-dimethyl-
CAS Number:
139920-32-4
Molecular Formula:
C15H18Cl2N2O
Molecular Weight:
313.2222
IUPAC Name:
2-cyano-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3,3-dimethylbutanamide
InChI:
InChI=1S/C15H18Cl2N2O/c1-9(11-6-5-10(16)7-13(11)17)19-14(20)12(8-18)15(2,3)4/h5-7,9,12H,1-4H3,(H,19,20)/t9-,12?/m1/s1
InChI Key:
YEJGPFZQLRMXOI-PKEIRNPWSA-N
SMILES:
N#CC(C(C)(C)C)C(=O)N[C@@H](c1ccc(cc1Cl)Cl)C
EC Number:
604-166-0
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
312.08g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
313.222g/mol
Monoisotopic Mass:
312.08g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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