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1020955-20-7 | 5-Isoxazolamine, 3-(4-ethylphenyl)-
CAS No: 1020955-20-7 Catalog No: AG0006LC MDL No:MFCD07382879
Product Description
Catalog Number:
AG0006LC
Chemical Name:
5-Isoxazolamine, 3-(4-ethylphenyl)-
CAS Number:
1020955-20-7
Molecular Formula:
C11H12N2O
Molecular Weight:
188.2258
MDL Number:
MFCD07382879
IUPAC Name:
3-(4-ethylphenyl)-1,2-oxazol-5-amine
InChI:
InChI=1S/C11H12N2O/c1-2-8-3-5-9(6-4-8)10-7-11(12)14-13-10/h3-7H,2,12H2,1H3
InChI Key:
WZBGIZPUUZIMTP-UHFFFAOYSA-N
SMILES:
CCc1ccc(cc1)c1noc(c1)N
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.095g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
188.23g/mol
Monoisotopic Mass:
188.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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