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1680-16-6 | Glycine, N-[(2-azido-1H-benzimidazol-1-yl)carbonyl]-, butyl ester
CAS No: 1680-16-6 Catalog No: AG001XQN MDL No:
Product Description
Catalog Number:
AG001XQN
Chemical Name:
Glycine, N-[(2-azido-1H-benzimidazol-1-yl)carbonyl]-, butyl ester
CAS Number:
1680-16-6
Molecular Formula:
C14H16N6O3
Molecular Weight:
316.3152
IUPAC Name:
butyl 2-[(2-azidobenzimidazole-1-carbonyl)amino]acetate
InChI:
InChI=1S/C14H16N6O3/c1-2-3-8-23-12(21)9-16-14(22)20-11-7-5-4-6-10(11)17-13(20)18-19-15/h4-7H,2-3,8-9H2,1H3,(H,16,22)
InChI Key:
APKWSFXQFSKMEP-UHFFFAOYSA-N
SMILES:
CCCCOC(=O)CNC(=O)n1c(N=[N+]=[N-])nc2c1cccc2
EC Number:
216-852-3
Properties
Complexity:
479
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.128g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
316.321g/mol
Monoisotopic Mass:
316.128g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
87.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.6
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