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117145-55-8 | 2-(4-tert-butylphenyl)-4H-3,1-benzoxazin-4-one
CAS No: 117145-55-8 Catalog No: AG01FOP1 MDL No:
Product Description
Catalog Number:
AG01FOP1
Chemical Name:
2-(4-tert-butylphenyl)-4H-3,1-benzoxazin-4-one
CAS Number:
117145-55-8
IUPAC Name:
2-(4-tert-butylphenyl)-3,1-benzoxazin-4-one
InChI:
InChI=1S/C18H17NO2/c1-18(2,3)13-10-8-12(9-11-13)16-19-15-7-5-4-6-14(15)17(20)21-16/h4-11H,1-3H3
InChI Key:
INMWPCXDYPLTBA-UHFFFAOYSA-N
NSC Number:
676898
Properties
Complexity:
427
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.126g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.339g/mol
Monoisotopic Mass:
279.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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