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125659-45-2 | 2-Pyrrolidinone, 1-(2-azidobenzoyl)-
CAS No: 125659-45-2 Catalog No: AG000OAR MDL No:
Product Description
Catalog Number:
AG000OAR
Chemical Name:
2-Pyrrolidinone, 1-(2-azidobenzoyl)-
CAS Number:
125659-45-2
Molecular Formula:
C11H10N4O2
Molecular Weight:
230.2227
IUPAC Name:
1-(2-azidobenzoyl)pyrrolidin-2-one
InChI:
InChI=1S/C11H10N4O2/c12-14-13-9-5-2-1-4-8(9)11(17)15-7-3-6-10(15)16/h1-2,4-5H,3,6-7H2
InChI Key:
CDMRDRSOZKAPBE-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=Nc1ccccc1C(=O)N1CCCC1=O
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.08g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.227g/mol
Monoisotopic Mass:
230.08g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
51.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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