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1-chloro-3-methyl-2-nitrobenzene

1-chloro-3-methyl-2-nitrobenzene

CAS: 5367-26-0

Formula: C7H6ClNO2

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

IUPAC: 1-chloro-3-methyl-2-nitrobenzene

InChI: InChI=1S/C7H6ClNO2/c1-5-3-2-4-6(8)7(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 JLDKNVUJLUGIBQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 42.22
Topological Polar Surface Area 43.14
Polarizability 15.92
Ring Count 1
Rotatable Bond Count 1

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