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119162-58-2 | 5-Isoxazolamine, 3-(phenylmethyl)-
CAS No: 119162-58-2 Catalog No: AG000I9U MDL No:MFCD16301537
Product Description
Catalog Number:
AG000I9U
Chemical Name:
5-Isoxazolamine, 3-(phenylmethyl)-
CAS Number:
119162-58-2
Molecular Formula:
C10H10N2O
Molecular Weight:
174.1992
MDL Number:
MFCD16301537
IUPAC Name:
3-benzyl-1,2-oxazol-5-amine
InChI:
InChI=1S/C10H10N2O/c11-10-7-9(12-13-10)6-8-4-2-1-3-5-8/h1-5,7H,6,11H2
InChI Key:
PJEXDUCPZGTNTP-UHFFFAOYSA-N
SMILES:
Nc1onc(c1)Cc1ccccc1
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.079g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
174.203g/mol
Monoisotopic Mass:
174.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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