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352018-89-4 | Isoxazole,4-isocyanato-3-methyl-5-phenyl-
CAS No: 352018-89-4 Catalog No: AG007F3Q MDL No:MFCD03086123
Product Description
Catalog Number:
AG007F3Q
Chemical Name:
Isoxazole,4-isocyanato-3-methyl-5-phenyl-
CAS Number:
352018-89-4
Molecular Formula:
C11H8N2O2
Molecular Weight:
200.1934
MDL Number:
MFCD03086123
IUPAC Name:
4-isocyanato-3-methyl-5-phenyl-1,2-oxazole
InChI:
InChI=1S/C11H8N2O2/c1-8-10(12-7-14)11(15-13-8)9-5-3-2-4-6-9/h2-6H,1H3
InChI Key:
ZSAPULDWGBONCI-UHFFFAOYSA-N
SMILES:
O=C=Nc1c(C)noc1c1ccccc1
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.059g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.197g/mol
Monoisotopic Mass:
200.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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