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143207-32-3 | 3(2H)-Benzoxazolecarboxamide, N-butyl-2-oxo-
CAS No: 143207-32-3 Catalog No: AG007Z1E MDL No:
Product Description
Catalog Number:
AG007Z1E
Chemical Name:
3(2H)-Benzoxazolecarboxamide, N-butyl-2-oxo-
CAS Number:
143207-32-3
Molecular Formula:
C12H14N2O3
Molecular Weight:
234.2512
IUPAC Name:
N-butyl-2-oxo-1,3-benzoxazole-3-carboxamide
InChI:
InChI=1S/C12H14N2O3/c1-2-3-8-13-11(15)14-9-6-4-5-7-10(9)17-12(14)16/h4-7H,2-3,8H2,1H3,(H,13,15)
InChI Key:
VAWTXJAARVWUBM-UHFFFAOYSA-N
SMILES:
CCCCNC(=O)n1c(=O)oc2c1cccc2
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.1g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
234.255g/mol
Monoisotopic Mass:
234.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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