C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)Cl
CAS: 99-33-2
Название: 3,5-dinitrobenzoyl chloride
SMILES: C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)Cl

Molecular Processing

Molecular formula
C7H3ClN2O5
Molecular weight
230.56
Exact mass
229.973
XLogP
1.88
TPSA
103.35
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
15
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0
Molar refractivity
49.93

Supplementary Information

InChIKey: NNOHXABAQAGKRZ-UHFFFAOYSA-N
Синонимы
3,5-Dinitrobenzoyl chloride99-33-2BENZOYL CHLORIDE, 3,5-DINITRO-3,5-Dinitrobenzoic acid chloride5JFA2DVM4DNSC-2697DTXSID2059194RefChem:487071DTXCID0049103202-750-6MFCD000072483,5-DinitrobenzoylchlorideCCRIS 3137NSC 2697EINECS 202-750-6UNII-5JFA2DVM4DBRN 0990249AI3-088953,5-dinitrobenzoic chlorideBenzoyl chloride,5-dinitro-SCHEMBL548804-09-00-01350 (Beilstein Handbook Reference)CHEMBL2005426NSC2697STR014173,5-Dinitrobenzoyl chloride, 98%SBB058782STL146563AKOS0057209073,5-Dinitrobenzoyl chloride, >=98%
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