4-tert-butyl-1-chloro-2-nitrobenzene

4-tert-butyl-1-chloro-2-nitrobenzene

CAS: 58574-05-3

Formula: C10H12ClNO2

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

IUPAC: 4-tert-butyl-1-chloro-2-nitrobenzene

InChI: InChI=1S/C10H12ClNO2/c1-10(2,3)7-4-5-8(11)9(6-7)12(13)14/h4-6H,1-3H3

Composition: C (56.22%), H (5.66%), Cl (16.59%), N (6.56%), O (14.98%)

Molar Mass: 213.66

Atom Count: 26

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	213.0556563
Formal Charge	0
FSP3	0.4
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	AGZGOTUKAZSIIO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	55.85
Topological Polar Surface Area	43.14
Polarizability	21.4
Ring Count	1
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	58574-05-3		$20.18-$972.23$20.18$156.36$307.68$972.23