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90348-48-4 | N-(2-Chloro-5-nitrophenyl)-3-chloropropanamide
CAS No: 90348-48-4 Catalog No: AG01FA6V MDL No:MFCD02803938
Product Description
Catalog Number:
AG01FA6V
Chemical Name:
N-(2-Chloro-5-nitrophenyl)-3-chloropropanamide
CAS Number:
90348-48-4
Molecular Formula:
C9H8Cl2N2O3
Molecular Weight:
263.0774
MDL Number:
MFCD02803938
IUPAC Name:
3-chloro-N-(2-chloro-5-nitrophenyl)propanamide
InChI:
InChI=1S/C9H8Cl2N2O3/c10-4-3-9(14)12-8-5-6(13(15)16)1-2-7(8)11/h1-2,5H,3-4H2,(H,12,14)
InChI Key:
LCWVNILNPZITDG-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(NC(=O)CCCl)c(cc1)Cl
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.991g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
263.074g/mol
Monoisotopic Mass:
261.991g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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