5-isocyanato-1,2,3-trimethoxybenzene

5-isocyanato-1,2,3-trimethoxybenzene

CAS: 1016-19-9

Formula: C10H11NO4

SMILES: COC1=CC(=CC(OC)=C1OC)N=C=O

IUPAC: 5-isocyanato-1,2,3-trimethoxybenzene

InChI: InChI=1S/C10H11NO4/c1-13-8-4-7(11-6-12)5-9(14-2)10(8)15-3/h4-5H,1-3H3

Composition: C (57.41%), H (5.30%), N (6.70%), O (30.59%)

Molar Mass: 209.201

Atom Count: 26

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	209.068807838
Formal Charge	0
FSP3	0.3
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
InChIKey	MJJXWPHZDBIHIM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	54.52
Topological Polar Surface Area	57.12
Polarizability	20.26
Ring Count	1
Rotatable Bond Count	4

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