1,3-dibromo-2-methyl-5-nitrobenzene

1,3-dibromo-2-methyl-5-nitrobenzene

CAS: 101581-06-0

Formula: C7H5Br2NO2

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

IUPAC: 1,3-dibromo-2-methyl-5-nitrobenzene

InChI: InChI=1S/C7H5Br2NO2/c1-4-6(8)2-5(10(11)12)3-7(4)9/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	HGDQAFSQPJJIFA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.67
Topological Polar Surface Area	43.14
Polarizability	20.05
Ring Count	1
Rotatable Bond Count	1

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