4-bromo-2,6-dinitroaniline

4-bromo-2,6-dinitroaniline

CAS: 62554-90-9

Formula: C6H4BrN3O4

SMILES: NC1=C(C=C(Br)C=C1[N+]([O-])=O)[N+]([O-])=O

IUPAC: 4-bromo-2,6-dinitroaniline

InChI: InChI=1S/C6H4BrN3O4/c7-3-1-4(9(11)12)6(8)5(2-3)10(13)14/h1-2H,8H2

Composition: C (27.50%), H (1.54%), Br (30.50%), N (16.04%), O (24.42%)

Molar Mass: 262.019

Atom Count: 18

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	260.938519
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	IIUAAKYBFINVAD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.02
Topological Polar Surface Area	112.3
Polarizability	18.53
Ring Count	1
Rotatable Bond Count	2

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