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116248-09-0 | 5-Benzoxazolamine, 2-(4-ethylphenyl)-
CAS No: 116248-09-0 Catalog No: AG000C16 MDL No:MFCD00298091
Product Description
Catalog Number:
AG000C16
Chemical Name:
5-Benzoxazolamine, 2-(4-ethylphenyl)-
CAS Number:
116248-09-0
Molecular Formula:
C15H14N2O
Molecular Weight:
238.2845
MDL Number:
MFCD00298091
IUPAC Name:
2-(4-ethylphenyl)-1,3-benzoxazol-5-amine
InChI:
InChI=1S/C15H14N2O/c1-2-10-3-5-11(6-4-10)15-17-13-9-12(16)7-8-14(13)18-15/h3-9H,2,16H2,1H3
InChI Key:
FKDOOGCZVMKBIT-UHFFFAOYSA-N
SMILES:
CCc1ccc(cc1)c1nc2c(o1)ccc(c2)N
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.111g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
238.29g/mol
Monoisotopic Mass:
238.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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