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33235-31-3 | ETHYL 4-FLUORO-1H-IMIDAZOLE-5-CARBOXYLATE
CAS No: 33235-31-3 Catalog No: AG00D14G MDL No:MFCD20488831
Product Description
Catalog Number:
AG00D14G
Chemical Name:
ETHYL 4-FLUORO-1H-IMIDAZOLE-5-CARBOXYLATE
CAS Number:
33235-31-3
Molecular Formula:
C6H7FN2O2
Molecular Weight:
158.1304
MDL Number:
MFCD20488831
IUPAC Name:
ethyl 5-fluoro-1H-imidazole-4-carboxylate
InChI:
InChI=1S/C6H7FN2O2/c1-2-11-6(10)4-5(7)9-3-8-4/h3H,2H2,1H3,(H,8,9)
InChI Key:
IHNTZQIMEWDJOZ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nc[nH]c1F
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.049g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
158.132g/mol
Monoisotopic Mass:
158.049g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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