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268748-84-1 | 5-METHYL-3-PHENYL-4-ISOXAZOLYL ISOCYANATE
CAS No: 268748-84-1 Catalog No: AG00BCZ2 MDL No:MFCD02677698
Product Description
Catalog Number:
AG00BCZ2
Chemical Name:
5-METHYL-3-PHENYL-4-ISOXAZOLYL ISOCYANATE
CAS Number:
268748-84-1
Molecular Formula:
C11H8N2O2
Molecular Weight:
200.1934
MDL Number:
MFCD02677698
IUPAC Name:
4-isocyanato-5-methyl-3-phenyl-1,2-oxazole
InChI:
InChI=1S/C11H8N2O2/c1-8-10(12-7-14)11(13-15-8)9-5-3-2-4-6-9/h2-6H,1H3
InChI Key:
PQTGYRAJPUYYOM-UHFFFAOYSA-N
SMILES:
O=C=Nc1c(C)onc1c1ccccc1
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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