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

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

CAS: 454-15-9

Formula: C7H5BrFNO2

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

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

InChI: InChI=1S/C7H5BrFNO2/c8-4-5-3-6(10(11)12)1-2-7(5)9/h1-3H,4H2

Composition: C (35.93%), H (2.15%), Br (34.14%), F (8.12%), N (5.99%), O (13.67%)

Molar Mass: 234.024

Atom Count: 17

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	232.94877
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	KQAKOKGCKNKARC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	45.45
Topological Polar Surface Area	43.14
Polarizability	16.79
Ring Count	1
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<5 Days	454-15-9		$30.26-$1,984.81$30.26$40.35$184.11$766.69$1,984.81

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Purity	LeadTime	CAS	PacketSize	UnitPrice
96%	<2 Days	454-15-9		$46.00-$431.25$46.00$143.75$431.25