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2-chloro-1-methoxy-4-methyl-3-nitrobenzene

2-chloro-1-methoxy-4-methyl-3-nitrobenzene

CAS: 1807173-28-9

Formula: C8H8ClNO3

SMILES: COC1=CC=C(C)C(=C1Cl)[N+]([O-])=O

IUPAC: 2-chloro-1-methoxy-4-methyl-3-nitrobenzene

InChI: InChI=1S/C8H8ClNO3/c1-5-3-4-6(13-2)7(9)8(5)10(11)12/h3-4H,1-2H3

Composition: C (47.66%), H (4.00%), Cl (17.58%), N (6.95%), O (23.81%)

Molar Mass: 201.61

Atom Count: 21

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 201.0192708
Formal Charge 0
FSP3 0.25
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey PPPVKPRYVAQYTF-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 48.69
Topological Polar Surface Area 52.37
Polarizability 18.5
Ring Count 1
Rotatable Bond Count 2

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97% <2 Days 1807173-28-9 $143.75-$2,290.80$143.75$171.35$227.70$343.85$572.70$2,290.80
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