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159216-68-9 | 1,2-Benzenediol, 4-[(1R)-2-amino-1-hydroxyethyl]-5-nitro-
CAS No: 159216-68-9 Catalog No: AG001QJT MDL No:
Product Description
Catalog Number:
AG001QJT
Chemical Name:
1,2-Benzenediol, 4-[(1R)-2-amino-1-hydroxyethyl]-5-nitro-
CAS Number:
159216-68-9
Molecular Formula:
C8H10N2O5
Molecular Weight:
214.1754
IUPAC Name:
4-[(1R)-2-amino-1-hydroxyethyl]-5-nitrobenzene-1,2-diol
InChI:
InChI=1S/C8H10N2O5/c9-3-8(13)4-1-6(11)7(12)2-5(4)10(14)15/h1-2,8,11-13H,3,9H2/t8-/m0/s1
InChI Key:
PUHLVDZPLRDOBQ-QMMMGPOBSA-N
SMILES:
NC[C@@H](c1cc(O)c(cc1[N+](=O)[O-])O)O
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
214.059g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
214.177g/mol
Monoisotopic Mass:
214.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
133A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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