1-chloro-4,5-dimethyl-2-nitrobenzene

1-chloro-4,5-dimethyl-2-nitrobenzene

CAS: 52753-43-2

Formula: C8H8ClNO2

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

IUPAC: 1-chloro-4,5-dimethyl-2-nitrobenzene

InChI: InChI=1S/C8H8ClNO2/c1-5-3-7(9)8(10(11)12)4-6(5)2/h3-4H,1-2H3

Composition: C (51.77%), H (4.34%), Cl (19.10%), N (7.55%), O (17.24%)

Molar Mass: 185.61

Atom Count: 20

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	185.0243562
Formal Charge	0
FSP3	0.25
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	ICLKPHVGBPBMKS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	47.27
Topological Polar Surface Area	43.14
Polarizability	17.67
Ring Count	1
Rotatable Bond Count	1

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