2-chloro-1-methoxy-3-nitrobenzene

2-chloro-1-methoxy-3-nitrobenzene

CAS: 3970-39-6

Formula: C7H6ClNO3

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

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

InChI: InChI=1S/C7H6ClNO3/c1-12-6-4-2-3-5(7(6)8)9(10)11/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	XVBAPYDWAVGVGW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.65
Topological Polar Surface Area	52.37
Polarizability	16.75
Ring Count	1
Rotatable Bond Count	2

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Kinentia Biosciences LLC

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