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1-bromo-2-methyl-3,4-dinitrobenzene

1-bromo-2-methyl-3,4-dinitrobenzene

CAS: 290353-57-0

Formula: C7H5BrN2O4

SMILES: CC1=C(Br)C=CC(=C1[N+]([O-])=O)[N+]([O-])=O

IUPAC: 1-bromo-2-methyl-3,4-dinitrobenzene

InChI: InChI=1S/C7H5BrN2O4/c1-4-5(8)2-3-6(9(11)12)7(4)10(13)14/h2-3H,1H3

Composition: C (32.21%), H (1.93%), Br (30.61%), N (10.73%), O (24.52%)

Molar Mass: 261.031

Atom Count: 19

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 259.94327
Formal Charge 0
FSP3 0.14
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey OXYXHHOXCIPFBY-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 51.36
Topological Polar Surface Area 86.28
Polarizability 19.06
Ring Count 1
Rotatable Bond Count 2

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