2-chloro-4,6-dimethoxy-5-nitropyrimidine

2-chloro-4,6-dimethoxy-5-nitropyrimidine

CAS: 478010-54-7

Formula: C6H6ClN3O4

SMILES: COC1=NC(Cl)=NC(OC)=C1[N+]([O-])=O

IUPAC: 2-chloro-4,6-dimethoxy-5-nitropyrimidine

InChI: InChI=1S/C6H6ClN3O4/c1-13-4-3(10(11)12)5(14-2)9-6(7)8-4/h1-2H3

Composition: C (32.82%), H (2.75%), Cl (16.14%), N (19.14%), O (29.14%)

Molar Mass: 219.58

Atom Count: 20

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	219.0046834
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
InChIKey	FETZNGVNMWWJPO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	48.09
Topological Polar Surface Area	87.38
Polarizability	17.8
Ring Count	1
Rotatable Bond Count	3

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