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Home > Fluorides > 1416373-44-8
1416373-44-8 | Carbamic acid, N-[1-(4-fluorophenyl)-1H-imidazol-4-yl]-, 1,1-dimethylethyl ester
CAS No: 1416373-44-8 Catalog No: AG001GQT MDL No:MFCD20278201
Product Description
Catalog Number:
AG001GQT
Chemical Name:
Carbamic acid, N-[1-(4-fluorophenyl)-1H-imidazol-4-yl]-, 1,1-dimethylethyl ester
CAS Number:
1416373-44-8
Molecular Formula:
C14H16FN3O2
Molecular Weight:
277.2941
MDL Number:
MFCD20278201
IUPAC Name:
tert-butyl N-[1-(4-fluorophenyl)imidazol-4-yl]carbamate
InChI:
InChI=1S/C14H16FN3O2/c1-14(2,3)20-13(19)17-12-8-18(9-16-12)11-6-4-10(15)5-7-11/h4-9H,1-3H3,(H,17,19)
InChI Key:
VMHSSBLAHSKJQP-UHFFFAOYSA-N
SMILES:
O=C(Nc1ncn(c1)c1ccc(cc1)F)OC(C)(C)C
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.123g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
277.299g/mol
Monoisotopic Mass:
277.123g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
56.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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