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2-chloro-4-methoxy-1-nitrobenzene

2-chloro-4-methoxy-1-nitrobenzene

CAS: 28987-59-9

Formula: C7H6ClNO3

SMILES: COC1=CC(Cl)=C(C=C1)[N+]([O-])=O

IUPAC: 2-chloro-4-methoxy-1-nitrobenzene

InChI: InChI=1S/C7H6ClNO3/c1-12-5-2-3-7(9(10)11)6(8)4-5/h2-4H,1H3

Composition: C (44.82%), H (3.22%), Cl (18.90%), N (7.47%), O (25.59%)

Molar Mass: 187.58

Atom Count: 18

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 187.0036208
Formal Charge 0
FSP3 0.14
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey QTIDRIQSPAELJC-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 43.65
Topological Polar Surface Area 52.37
Polarizability 16.73
Ring Count 1
Rotatable Bond Count 2

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