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Home > Nitro Compounds > 16600-92-3
16600-92-3 | 2-Nitrobenzene-1,3,5-triol
CAS No: 16600-92-3 Catalog No: AG003HT4 MDL No:MFCD00016996
Product Description
Catalog Number:
AG003HT4
Chemical Name:
2-Nitrobenzene-1,3,5-triol
CAS Number:
16600-92-3
Molecular Formula:
C6H5NO5
Molecular Weight:
171.1076
MDL Number:
MFCD00016996
IUPAC Name:
2-nitrobenzene-1,3,5-triol
InChI:
InChI=1S/C6H5NO5/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2,8-10H
InChI Key:
QSVQZFVXAUGEMT-UHFFFAOYSA-N
SMILES:
Oc1cc(O)cc(c1[N+](=O)[O-])O
EC Number:
240-656-7
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.017g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
171.108g/mol
Monoisotopic Mass:
171.017g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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