1-(bromomethyl)-2-nitro-4-(trifluoromethyl)benzene

1-(bromomethyl)-2-nitro-4-(trifluoromethyl)benzene

CAS: 162333-02-0

Formula: C8H5BrF3NO2

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

IUPAC: 1-(bromomethyl)-2-nitro-4-(trifluoromethyl)benzene

InChI: InChI=1S/C8H5BrF3NO2/c9-4-5-1-2-6(8(10,11)12)3-7(5)13(14)15/h1-3H,4H2

Composition: C (33.83%), H (1.77%), Br (28.13%), F (20.07%), N (4.93%), O (11.27%)

Molar Mass: 284.032

Atom Count: 20

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	282.945576
Formal Charge	0
FSP3	0.25
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	XAEZZJSUMIHJQS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.2
Topological Polar Surface Area	43.14
Polarizability	18.52
Ring Count	1
Rotatable Bond Count	3

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