C1=C(C=NC(=O)N1)Cl
CAS: 54326-16-8
Nom: 5-chloro-1H-pyrimidin-2-one
SMILES: C1=C(C=NC(=O)N1)Cl

Molecular Processing

Molecular formula
C4H3ClN2O
Molecular weight
130.53
Exact mass
129.9934
XLogP
0.42
TPSA
45.75
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
8
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0
Molar refractivity
29.87

Supplementary Information

InChIKey: OCSYCDVQABSEPJ-UHFFFAOYSA-N
Synonymes
5-Chloro-2-hydroxypyrimidine54326-16-82(1H)-Pyrimidinone, 5-chloro-5-Chloropyrimidin-2-one5-Chloro-2(1H)-pyrimidinoneS38KEL5AQRDTXSID0068947RefChem:102399DTXCID6041686259-106-25-chloropyrimidin-2-ol5-Chloro-1H-pyrimidin-2-one5-Chloropyrimidin-2(1H)-one214290-50-35-Chloro-2-hydroxy-pyrimidineMFCD001297235-CHLORO-2-PYRIMIDINOLNY 30002-Pyrimidinol, 5-chloro- (9CI)EINECS 259-106-22(1H)-PYRIMIDINONE,5-CHLORO-5-chloropyrimid-2-oneSCHEMBL2232512SCHEMBL8616381SCHEMBL10737774SCHEMBL10972832AKOS006274658AKOS017344820AB03656AC-4605
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Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→