1,4-dibromo-2-methyl-5-nitrobenzene

1,4-dibromo-2-methyl-5-nitrobenzene

CAS: 219310-40-4

Formula: C7H5Br2NO2

SMILES: CC1=CC(Br)=C(C=C1Br)[N+]([O-])=O

IUPAC: 1,4-dibromo-2-methyl-5-nitrobenzene

InChI: InChI=1S/C7H5Br2NO2/c1-4-2-6(9)7(10(11)12)3-5(4)8/h2-3H,1H3

Composition: C (28.51%), H (1.71%), Br (54.19%), N (4.75%), O (10.85%)

Molar Mass: 294.93

Atom Count: 17

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	292.868704
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	LEYVOWUJMKYDOV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.67
Topological Polar Surface Area	43.14
Polarizability	20.06
Ring Count	1
Rotatable Bond Count	1

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