1-chloro-3-methyl-5-nitrobenzene

1-chloro-3-methyl-5-nitrobenzene

CAS: 16582-38-0

Formula: C7H6ClNO2

SMILES: CC1=CC(Cl)=CC(=C1)[N+]([O-])=O

IUPAC: 1-chloro-3-methyl-5-nitrobenzene

InChI: InChI=1S/C7H6ClNO2/c1-5-2-6(8)4-7(3-5)9(10)11/h2-4H,1H3

Composition: C (49.00%), H (3.52%), Cl (20.66%), N (8.16%), O (18.65%)

Molar Mass: 171.58

Atom Count: 17

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	171.0087061
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	IYHHGLULQDOFGC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	42.22
Topological Polar Surface Area	43.14
Polarizability	15.89
Ring Count	1
Rotatable Bond Count	1

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<6 Days	16582-38-0		$5.75-$171.35$5.75$14.95$27.60$59.80$171.35