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Home > Imidazoles > 114567-90-7
114567-90-7 | Benzoic acid, 4-azido-, 1H-imidazol-1-yl ester
CAS No: 114567-90-7 Catalog No: AG000EPX MDL No:
Product Description
Catalog Number:
AG000EPX
Chemical Name:
Benzoic acid, 4-azido-, 1H-imidazol-1-yl ester
CAS Number:
114567-90-7
Molecular Formula:
C10H7N5O2
Molecular Weight:
229.1949
IUPAC Name:
imidazol-1-yl 4-azidobenzoate
InChI:
InChI=1S/C10H7N5O2/c11-14-13-9-3-1-8(2-4-9)10(16)17-15-6-5-12-7-15/h1-7H
InChI Key:
BDRGWARVCUYSTC-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=Nc1ccc(cc1)C(=O)On1cncc1
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.06g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.199g/mol
Monoisotopic Mass:
229.06g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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