1-isocyanato-3-methoxybenzene

1-isocyanato-3-methoxybenzene

CAS: 18908-07-1

Formula: C8H7NO2

SMILES: COC1=CC=CC(=C1)N=C=O

IUPAC: 1-isocyanato-3-methoxybenzene

InChI: InChI=1S/C8H7NO2/c1-11-8-4-2-3-7(5-8)9-6-10/h2-5H,1H3

Composition: C (64.42%), H (4.73%), N (9.39%), O (21.45%)

Molar Mass: 149.149

Atom Count: 18

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	149.047678469
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	NPOVTGVGOBJZPY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	41.59
Topological Polar Surface Area	38.66
Polarizability	15.16
Ring Count	1
Rotatable Bond Count	2

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