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86569-52-0 | Butanamide, N-(4-chloro-2-nitrophenyl)-
CAS No: 86569-52-0 Catalog No: AG004PKM MDL No:
Product Description
Catalog Number:
AG004PKM
Chemical Name:
Butanamide, N-(4-chloro-2-nitrophenyl)-
CAS Number:
86569-52-0
Molecular Formula:
C10H11ClN2O3
Molecular Weight:
242.6589
IUPAC Name:
N-(4-chloro-2-nitrophenyl)butanamide
InChI:
InChI=1S/C10H11ClN2O3/c1-2-3-10(14)12-8-5-4-7(11)6-9(8)13(15)16/h4-6H,2-3H2,1H3,(H,12,14)
InChI Key:
PGZNBFOTVVIVJS-UHFFFAOYSA-N
SMILES:
CCCC(=O)Nc1ccc(cc1[N+](=O)[O-])Cl
NSC Number:
39614
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.046g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.659g/mol
Monoisotopic Mass:
242.046g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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