4-bromo-2-(bromomethyl)-1-nitrobenzene

4-bromo-2-(bromomethyl)-1-nitrobenzene

CAS: 35287-42-4

Formula: C7H5Br2NO2

SMILES: [O-][N+](=O)C1=CC=C(Br)C=C1CBr

IUPAC: 4-bromo-2-(bromomethyl)-1-nitrobenzene

InChI: InChI=1S/C7H5Br2NO2/c8-4-5-3-6(9)1-2-7(5)10(11)12/h1-3H,4H2

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	HEDWEKIFJGXTDZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.85
Topological Polar Surface Area	43.14
Polarizability	20.03
Ring Count	1
Rotatable Bond Count	2

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