1-bromo-5-methoxy-2-nitro-4-(trifluoromethyl)benzene

1-bromo-5-methoxy-2-nitro-4-(trifluoromethyl)benzene

CAS: 951231-87-1

Formula: C8H5BrF3NO3

SMILES: COC1=CC(Br)=C(C=C1C(F)(F)F)[N+]([O-])=O

IUPAC: 1-bromo-5-methoxy-2-nitro-4-(trifluoromethyl)benzene

InChI: InChI=1S/C8H5BrF3NO3/c1-16-7-3-5(9)6(13(14)15)2-4(7)8(10,11)12/h2-3H,1H3

Composition: C (32.03%), H (1.68%), Br (26.63%), F (19.00%), N (4.67%), O (16.00%)

Molar Mass: 300.031

Atom Count: 21

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	298.940491
Formal Charge	0
FSP3	0.25
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	ZQFYMNIMOATSOG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.44
Topological Polar Surface Area	52.37
Polarizability	19.41
Ring Count	1
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<5 Days	951231-87-1		$220.68-$936.92$220.68$350.56$936.92