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260045-39-4 | 2-Propanol, 1-(dimethylamino)-3-(4-nitrophenoxy)-
CAS No: 260045-39-4 Catalog No: AG002RD4 MDL No:MFCD00536764
Product Description
Catalog Number:
AG002RD4
Chemical Name:
2-Propanol, 1-(dimethylamino)-3-(4-nitrophenoxy)-
CAS Number:
260045-39-4
Molecular Formula:
C11H16N2O4
Molecular Weight:
240.2557
MDL Number:
MFCD00536764
IUPAC Name:
1-(dimethylamino)-3-(4-nitrophenoxy)propan-2-ol
InChI:
InChI=1S/C11H16N2O4/c1-12(2)7-10(14)8-17-11-5-3-9(4-6-11)13(15)16/h3-6,10,14H,7-8H2,1-2H3
InChI Key:
PCCRZPIJPREQTI-UHFFFAOYSA-N
SMILES:
OC(CN(C)C)COc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.111g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
240.259g/mol
Monoisotopic Mass:
240.111g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
78.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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