{
"ark": "ark:/c7614/q4rx94c51",
"cas": null,
"chemspider_id": 19981485,
"doi": "10.17614/Q4RX94C51",
"elements": [
"C",
"N",
"O",
"Cl"
],
"exact mass": 295.01266120699995,
"formula": "C9H11Cl2N3O4",
"inchi": "InChI=1S/C9H11Cl2N3O4/c10-3-1-14(9(17)13-7(3)12)8-5(11)6(16)4(2-15)18-8/h1,4-6,8,15-16H,2,12H2/t4-,5+,6-,8+/m1/s1\n",
"inchikey": "UDLONBHFIDEJHY-FUYZFFOTSA-O",
"iupac_name": "[(E)-1-amino-2-chloro-3-λ1-azanyl-prop-2-enylidene]azanide; carbon; λ1-carbane; methanol; methanone; oxygen; hydrate; hydrochloride",
"molecular mass": 296.10733999999997,
"name": "2'-deoxy-2',5-dichlorocytidine",
"pm7": {
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"dipole": [
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"dipoleMoment": 1.553,
"heatOfFormation": 142.09903,
"homo": 0.0,
"lumo": 0.0,
"orbitals": [
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"polarizability": 26.089931,
"rotational": [
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"surfaceArea": 274.21,
"volume": 277.33
},
"pointGroup": "C1",
"pubchem_cid": "",
"shortdoi": "10/f3fj55",
"smiles": "OCC1OC(C(C1O)Cl)n1cc(Cl)c(nc1=O)N",
"synonyms": "",
"tags": [
"enamine",
"alkene",
"enol_ether",
"hydrophilic",
"imino",
"alkyl",
"secondary_amine",
"isocyanate",
"alkyl_halide",
"ketone",
"base",
"amine",
"halide",
"ring",
"ether",
"carbonyl"
],
"wiki": ""
}