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1017199-00-6 | 2(3H)-Benzoxazolone, 6-amino-3-(phenylmethyl)-
CAS No: 1017199-00-6 Catalog No: AG0005AR MDL No:MFCD09894092
Product Description
Catalog Number:
AG0005AR
Chemical Name:
2(3H)-Benzoxazolone, 6-amino-3-(phenylmethyl)-
CAS Number:
1017199-00-6
Molecular Formula:
C14H12N2O2
Molecular Weight:
240.2573
MDL Number:
MFCD09894092
IUPAC Name:
6-amino-3-benzyl-1,3-benzoxazol-2-one
InChI:
InChI=1S/C14H12N2O2/c15-11-6-7-12-13(8-11)18-14(17)16(12)9-10-4-2-1-3-5-10/h1-8H,9,15H2
InChI Key:
RVSUQOYXAQTQNX-UHFFFAOYSA-N
SMILES:
Nc1ccc2c(c1)oc(=O)n2Cc1ccccc1
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.09g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
240.262g/mol
Monoisotopic Mass:
240.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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