1-(chloromethyl)-4,5-dimethoxy-2-nitrobenzene

1-(chloromethyl)-4,5-dimethoxy-2-nitrobenzene

CAS: 15862-94-9

Formula: C9H10ClNO4

SMILES: COC1=CC(CCl)=C(C=C1OC)[N+]([O-])=O

IUPAC: 1-(chloromethyl)-4,5-dimethoxy-2-nitrobenzene

InChI: InChI=1S/C9H10ClNO4/c1-14-8-3-6(5-10)7(11(12)13)4-9(8)15-2/h3-4H,5H2,1-2H3

Composition: C (46.67%), H (4.35%), Cl (15.30%), N (6.05%), O (27.63%)

Molar Mass: 231.63

Atom Count: 25

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	231.0298355
Formal Charge	0
FSP3	0.33
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	VRHNUGLFVZJARZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	55.17
Topological Polar Surface Area	61.6
Polarizability	21.03
Ring Count	1
Rotatable Bond Count	4

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