O=[N+]([O-])c1ccc(O)c(O)c1
CAS: 3316-09-4
Название: 4-nitrobenzene-1,2-diol
SMILES: O=[N+]([O-])c1ccc(O)c(O)c1

Molecular Processing

Molecular formula
C6H5NO4
Molecular weight
155.11
Exact mass
155.0219
XLogP
1.01
TPSA
83.6
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
11
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0
Molar refractivity
36.43

Supplementary Information

InChIKey: XJNPNXSISMKQEX-UHFFFAOYSA-N
Синонимы
4-nitrocatechol3316-09-44-nitrobenzene-1,2-diolSW60NG75ENCHEBI:16318DTXSID10186804NSC-80651RefChem:525951DTXCID10109295222-009-04-NITROPYROCATECHOL1,2-Dihydroxy-4-nitrobenzene4-Nitro-1,2-benzenediol1,2-Benzenediol, 4-nitro-MFCD000072423,4-Dihydroxy-1-nitrobenzeneNSC 806513,4-Dihydroxynitrobenzene4NCp-Nitrocatecholpara-nitrocatechol1eoc4-Nitrobenzcatechin4-Nitrocatechol, 97%4-nitro 1,2-benzenediolbmse000265UNII-SW60NG75EN4-nitro-benzene-1,2-diolorb3419114-Nitro-1,2-benzenediol #
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