1-bromo-2,3-dimethyl-4-nitrobenzene

1-bromo-2,3-dimethyl-4-nitrobenzene

CAS: 101421-63-0

Formula: C8H8BrNO2

SMILES: CC1=C(Br)C=CC(=C1C)[N+]([O-])=O

IUPAC: 1-bromo-2,3-dimethyl-4-nitrobenzene

InChI: InChI=1S/C8H8BrNO2/c1-5-6(2)8(10(11)12)4-3-7(5)9/h3-4H,1-2H3

Composition: C (41.77%), H (3.51%), Br (34.73%), N (6.09%), O (13.91%)

Molar Mass: 230.061

Atom Count: 20

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	228.973842
Formal Charge	0
FSP3	0.25
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	PQSZBOYJFKZYQO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.08
Topological Polar Surface Area	43.14
Polarizability	18.65
Ring Count	1
Rotatable Bond Count	1

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Purity	LeadTime	CAS	PacketSize	UnitPrice
96%	<2 Days	101421-63-0		$112.70-$2,290.80$112.70$140.30$165.60$216.20$572.70$2,290.80