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105952-95-2 | Carbamic acid, 1H-imidazo[4,5-c]pyridin-4-yl-, ethyl ester
CAS No: 105952-95-2 Catalog No: AG007WG0 MDL No:
Product Description
Catalog Number:
AG007WG0
Chemical Name:
Carbamic acid, 1H-imidazo[4,5-c]pyridin-4-yl-, ethyl ester
CAS Number:
105952-95-2
Molecular Formula:
C9H10N4O2
Molecular Weight:
206.2013
IUPAC Name:
ethyl N-(1H-imidazo[4,5-c]pyridin-4-yl)carbamate
InChI:
InChI=1S/C9H10N4O2/c1-2-15-9(14)13-8-7-6(3-4-10-8)11-5-12-7/h3-5H,2H2,1H3,(H,11,12)(H,10,13,14)
InChI Key:
PLTJIZNTKNTACZ-UHFFFAOYSA-N
SMILES:
CCOC(=O)Nc1nccc2c1nc[nH]2
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.08g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
206.205g/mol
Monoisotopic Mass:
206.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
79.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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