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1353967-42-6 | 2-Chloro-N-isopropyl-N-(4-nitro-benzyl)-acetamide
CAS No: 1353967-42-6 Catalog No: AG01F99P MDL No:
Product Description
Catalog Number:
AG01F99P
Chemical Name:
2-Chloro-N-isopropyl-N-(4-nitro-benzyl)-acetamide
CAS Number:
1353967-42-6
Molecular Formula:
C12H15ClN2O3
Molecular Weight:
270.7121
IUPAC Name:
2-chloro-N-[(4-nitrophenyl)methyl]-N-propan-2-ylacetamide
InChI:
InChI=1S/C12H15ClN2O3/c1-9(2)14(12(16)7-13)8-10-3-5-11(6-4-10)15(17)18/h3-6,9H,7-8H2,1-2H3
InChI Key:
OROBEUOHGKIVGF-UHFFFAOYSA-N
SMILES:
ClCC(=O)N(C(C)C)Cc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.077g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.713g/mol
Monoisotopic Mass:
270.077g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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