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78150-07-9 | 1-isopropylamino-3-(2-methyl-3-nitrophenoxy)propan-2-ol hydrochloride
CAS No: 78150-07-9 Catalog No: AG005D2W MDL No:
Product Description
Catalog Number:
AG005D2W
Chemical Name:
1-isopropylamino-3-(2-methyl-3-nitrophenoxy)propan-2-ol hydrochloride
CAS Number:
78150-07-9
Molecular Formula:
C13H21ClN2O4
Molecular Weight:
304.7698
IUPAC Name:
1-(2-methyl-3-nitrophenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
InChI:
InChI=1S/C13H20N2O4.ClH/c1-9(2)14-7-11(16)8-19-13-6-4-5-12(10(13)3)15(17)18;/h4-6,9,11,14,16H,7-8H2,1-3H3;1H
InChI Key:
KDHQQKMAQNCJPB-UHFFFAOYSA-N
SMILES:
OC(COc1cccc(c1C)[N+](=O)[O-])CNC(C)C.Cl
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.119g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
304.771g/mol
Monoisotopic Mass:
304.119g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
87.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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