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207746-95-0 | 2-(2-methylpiperazin-1-yl)-1,3-benzoxazole
CAS No: 207746-95-0 Catalog No: AG01ABA2 MDL No:MFCD16842683
Product Description
Catalog Number:
AG01ABA2
Chemical Name:
2-(2-methylpiperazin-1-yl)-1,3-benzoxazole
CAS Number:
207746-95-0
Molecular Formula:
C12H15N3O
Molecular Weight:
217.2670
MDL Number:
MFCD16842683
IUPAC Name:
2-(2-methylpiperazin-1-yl)-1,3-benzoxazole
InChI:
InChI=1S/C12H15N3O/c1-9-8-13-6-7-15(9)12-14-10-4-2-3-5-11(10)16-12/h2-5,9,13H,6-8H2,1H3
InChI Key:
VRQKFPGRVSUBEV-UHFFFAOYSA-N
SMILES:
CC1CNCCN1c1nc2c(o1)cccc2
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.122g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
217.272g/mol
Monoisotopic Mass:
217.122g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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