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1353963-13-9 | 2-Chloro-N-cyclopropyl-N-(4-nitro-benzyl)-acetamide
CAS No: 1353963-13-9 Catalog No: AG01F8RJ MDL No:
Product Description
Catalog Number:
AG01F8RJ
Chemical Name:
2-Chloro-N-cyclopropyl-N-(4-nitro-benzyl)-acetamide
CAS Number:
1353963-13-9
Molecular Formula:
C12H13ClN2O3
Molecular Weight:
268.6962
IUPAC Name:
2-chloro-N-cyclopropyl-N-[(4-nitrophenyl)methyl]acetamide
InChI:
InChI=1S/C12H13ClN2O3/c13-7-12(16)14(10-5-6-10)8-9-1-3-11(4-2-9)15(17)18/h1-4,10H,5-8H2
InChI Key:
ZCKHOAJUWZAZQU-UHFFFAOYSA-N
SMILES:
ClCC(=O)N(C1CC1)Cc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.061g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.697g/mol
Monoisotopic Mass:
268.061g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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