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1315366-50-7 | 6-(pyrrolidine-1-carbonyl)-2,3-dihydro-1,3-benzoxazol-2-imine
CAS No: 1315366-50-7 Catalog No: AG01AJ5H MDL No:MFCD19382080
Product Description
Catalog Number:
AG01AJ5H
Chemical Name:
6-(pyrrolidine-1-carbonyl)-2,3-dihydro-1,3-benzoxazol-2-imine
CAS Number:
1315366-50-7
Molecular Formula:
C12H13N3O2
Molecular Weight:
231.2505
MDL Number:
MFCD19382080
IUPAC Name:
(2-amino-1,3-benzoxazol-6-yl)-pyrrolidin-1-ylmethanone
InChI:
InChI=1S/C12H13N3O2/c13-12-14-9-4-3-8(7-10(9)17-12)11(16)15-5-1-2-6-15/h3-4,7H,1-2,5-6H2,(H2,13,14)
InChI Key:
YXYMCUFQNKRALC-UHFFFAOYSA-N
SMILES:
O=C(c1ccc2c(c1)oc(=N)[nH]2)N1CCCC1
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.101g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
231.255g/mol
Monoisotopic Mass:
231.101g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
72.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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