Home Aminos 1-amino-3-(4-nitrophenoxy)propan-2-ol hydrochloride

1-amino-3-(4-nitrophenoxy)propan-2-ol hydrochloride

CAS No.:
59117-67-8
Catalog Number:
AG019XKX
Molecular Formula:
C9H13ClN2O4
Molecular Weight:
248.6635
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Product Description
Catalog Number:
AG019XKX
Chemical Name:
1-amino-3-(4-nitrophenoxy)propan-2-ol hydrochloride
CAS Number:
59117-67-8
Molecular Formula:
C9H13ClN2O4
Molecular Weight:
248.6635
MDL Number:
MFCD13196204
IUPAC Name:
1-amino-3-(4-nitrophenoxy)propan-2-ol;hydrochloride
InChI:
InChI=1S/C9H12N2O4.ClH/c10-5-8(12)6-15-9-3-1-7(2-4-9)11(13)14;/h1-4,8,12H,5-6,10H2;1H
InChI Key:
NETJZMHBDMYMOS-UHFFFAOYSA-N
SMILES:
NCC(COc1ccc(cc1)[N+](=O)[O-])O.Cl
Properties
Complexity:
199  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.056g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
248.663g/mol
Monoisotopic Mass:
248.056g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties