3-nitro-1,2-Benzenediol


Chemical Name: 3-nitro-1,2-Benzenediol
CAS Number: 6665-98-1
Product Number: AG00FC73(AGN-PC-0WAJ7S)
Synonyms:
MDL No:
Molecular Formula: C6H5NO4
Molecular Weight: 155.1082

Identification/Properties


Computed Properties
Molecular Weight:
155.109g/mol
XLogP3:
1.2
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
0
Exact Mass:
155.022g/mol
Monoisotopic Mass:
155.022g/mol
Topological Polar Surface Area:
86.3A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
155
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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