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Home > Imidazoles > 917919-51-8
917919-51-8 | Carbamic acid, N-(5-formyl-1H-imidazol-2-yl)-, 1,1-dimethylethyl ester
CAS No: 917919-51-8 Catalog No: AG00IGVS MDL No:MFCD20527391
Product Description
Catalog Number:
AG00IGVS
Chemical Name:
Carbamic acid, N-(5-formyl-1H-imidazol-2-yl)-, 1,1-dimethylethyl ester
CAS Number:
917919-51-8
Molecular Formula:
C9H13N3O3
Molecular Weight:
211.2178
MDL Number:
MFCD20527391
IUPAC Name:
tert-butyl N-(5-formyl-1H-imidazol-2-yl)carbamate
InChI:
InChI=1S/C9H13N3O3/c1-9(2,3)15-8(14)12-7-10-4-6(5-13)11-7/h4-5H,1-3H3,(H2,10,11,12,14)
InChI Key:
GCKRKZGUXMRUEU-UHFFFAOYSA-N
SMILES:
O=Cc1cnc([nH]1)NC(=O)OC(C)(C)C
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.096g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
211.221g/mol
Monoisotopic Mass:
211.096g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
84.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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