linuron (iso)

linuron (iso)

CAS: 330-55-2

Formula: C9H10Cl2N2O2

SMILES: CON(C)C(=O)NC1=CC=C(Cl)C(Cl)=C1

IUPAC: 1-(3,4-dichlorophenyl)-3-methoxy-3-methylurea

InChI: InChI=1S/C9H10Cl2N2O2/c1-13(15-2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)

Composition: C (43.40%), H (4.05%), Cl (28.46%), N (11.25%), O (12.85%)

Molar Mass: 249.09

Atom Count: 25

Heavy Atom Count: 15

Properties

Properties

Common Names	linuron (iso)
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	248.011933
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	XKJMBINCVNINCA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	60.35
Topological Polar Surface Area	41.57
Polarizability	22.77
Ring Count	1
Rotatable Bond Count	2

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