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418790-62-2 | 4-Isoxazolecarbonitrile,3-(4-ethoxyphenyl)-(9CI)
CAS No: 418790-62-2 Catalog No: AG00CZ60 MDL No:
Product Description
Catalog Number:
AG00CZ60
Chemical Name:
4-Isoxazolecarbonitrile,3-(4-ethoxyphenyl)-(9CI)
CAS Number:
418790-62-2
IUPAC Name:
3-(4-ethoxyphenyl)-1,2-oxazole-4-carbonitrile
InChI:
InChI=1S/C12H10N2O2/c1-2-15-11-5-3-9(4-6-11)12-10(7-13)8-16-14-12/h3-6,8H,2H2,1H3
InChI Key:
KBUIJBPSWUXDGU-UHFFFAOYSA-N
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.074g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.224g/mol
Monoisotopic Mass:
214.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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