1-(chloromethyl)-3,5-dinitrobenzene

1-(chloromethyl)-3,5-dinitrobenzene

CAS: 74367-78-5

Formula: C7H5ClN2O4

SMILES: [O-][N+](=O)C1=CC(=CC(CCl)=C1)[N+]([O-])=O

IUPAC: 1-(chloromethyl)-3,5-dinitrobenzene

InChI: InChI=1S/C7H5ClN2O4/c8-4-5-1-6(9(11)12)3-7(2-5)10(13)14/h1-3H,4H2

Composition: C (38.82%), H (2.33%), Cl (16.37%), N (12.93%), O (29.55%)

Molar Mass: 216.58

Atom Count: 19

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	215.9937843
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	SMJODKZAFKWUJG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	48.57
Topological Polar Surface Area	86.28
Polarizability	17.97
Ring Count	1
Rotatable Bond Count	3

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