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14733-77-8 | 2(3H)-Benzoxazolone, 5-amino-
CAS No: 14733-77-8 Catalog No: AG001EU0 MDL No:MFCD00474884
Product Description
Catalog Number:
AG001EU0
Chemical Name:
2(3H)-Benzoxazolone, 5-amino-
CAS Number:
14733-77-8
Molecular Formula:
C7H6N2O2
Molecular Weight:
150.1347
MDL Number:
MFCD00474884
IUPAC Name:
5-amino-3H-1,3-benzoxazol-2-one
InChI:
InChI=1S/C7H6N2O2/c8-4-1-2-6-5(3-4)9-7(10)11-6/h1-3H,8H2,(H,9,10)
InChI Key:
GJXXUHGUCBUXSL-UHFFFAOYSA-N
SMILES:
Nc1ccc2c(c1)[nH]c(=O)o2
NSC Number:
24965
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.043g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
150.137g/mol
Monoisotopic Mass:
150.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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