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Home > Nitro Compounds > 1017789-45-5
1017789-45-5 | Propanamide, N-(2,3-dimethyl-4-nitrophenyl)-2,2-dimethyl-
CAS No: 1017789-45-5 Catalog No: AG0005K6 MDL No:
Product Description
Catalog Number:
AG0005K6
Chemical Name:
Propanamide, N-(2,3-dimethyl-4-nitrophenyl)-2,2-dimethyl-
CAS Number:
1017789-45-5
Molecular Formula:
C13H18N2O3
Molecular Weight:
250.2936
IUPAC Name:
N-(2,3-dimethyl-4-nitrophenyl)-2,2-dimethylpropanamide
InChI:
InChI=1S/C13H18N2O3/c1-8-9(2)11(15(17)18)7-6-10(8)14-12(16)13(3,4)5/h6-7H,1-5H3,(H,14,16)
InChI Key:
BWGAUXFPFOFRKH-UHFFFAOYSA-N
SMILES:
O=C(C(C)(C)C)Nc1ccc(c(c1C)C)[N+](=O)[O-]
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.132g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
250.298g/mol
Monoisotopic Mass:
250.132g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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