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321309-41-5 | 4-(1,3-OXAZOL-5-YL)PHENYL ISOTHIOCYANATE
CAS No: 321309-41-5 Catalog No: AG00CJ8A MDL No:
Product Description
Catalog Number:
AG00CJ8A
Chemical Name:
4-(1,3-OXAZOL-5-YL)PHENYL ISOTHIOCYANATE
CAS Number:
321309-41-5
IUPAC Name:
5-(4-isothiocyanatophenyl)-1,3-oxazole
InChI:
InChI=1S/C10H6N2OS/c14-7-12-9-3-1-8(2-4-9)10-5-11-6-13-10/h1-6H
InChI Key:
DPYNECHAXAYCQR-UHFFFAOYSA-N
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.02g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.231g/mol
Monoisotopic Mass:
202.02g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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