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10228-09-8 | Ethanol, 2-[(4-amino-3-nitrophenyl)methylamino]-
CAS No: 10228-09-8 Catalog No: AG00073W MDL No:
Product Description
Catalog Number:
AG00073W
Chemical Name:
Ethanol, 2-[(4-amino-3-nitrophenyl)methylamino]-
CAS Number:
10228-09-8
Molecular Formula:
C9H13N3O3
Molecular Weight:
211.2178
IUPAC Name:
2-[(4-amino-3-nitrophenyl)methylamino]ethanol
InChI:
InChI=1S/C9H13N3O3/c10-8-2-1-7(6-11-3-4-13)5-9(8)12(14)15/h1-2,5,11,13H,3-4,6,10H2
InChI Key:
OKJLTGXBBYEGCD-UHFFFAOYSA-N
SMILES:
OCCNCc1ccc(c(c1)[N+](=O)[O-])N
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.096g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
211.221g/mol
Monoisotopic Mass:
211.096g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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