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4-[(3-isocyanatophenyl)methyl]morpholine

4-[(3-isocyanatophenyl)methyl]morpholine

CAS: 166740-66-5

Formula: C12H14N2O2

SMILES: O=C=NC1=CC=CC(CN2CCOCC2)=C1

IUPAC: 4-[(3-isocyanatophenyl)methyl]morpholine

InChI: InChI=1S/C12H14N2O2/c15-10-13-12-3-1-2-11(8-12)9-14-4-6-16-7-5-14/h1-3,8H,4-7,9H2

Composition: C (66.04%), H (6.47%), N (12.84%), O (14.66%)

Molar Mass: 218.256

Atom Count: 30

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 218.105527699
Formal Charge 0
FSP3 0.42
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey XJXYHQOMLIRLFC-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 62.75
Topological Polar Surface Area 41.9
Polarizability 23.33
Ring Count 2
Rotatable Bond Count 3

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