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Home > Fluorides > 116218-76-9
116218-76-9 | 1,2-Benzenediol, 4-[(4,5-dihydro-1H-imidazol-2-yl)methyl]-5-fluoro-
CAS No: 116218-76-9 Catalog No: AG000BYK MDL No:
Product Description
Catalog Number:
AG000BYK
Chemical Name:
1,2-Benzenediol, 4-[(4,5-dihydro-1H-imidazol-2-yl)methyl]-5-fluoro-
CAS Number:
116218-76-9
Molecular Formula:
C10H11FN2O2
Molecular Weight:
210.2049
IUPAC Name:
4-(4,5-dihydro-1H-imidazol-2-ylmethyl)-5-fluorobenzene-1,2-diol
InChI:
InChI=1S/C10H11FN2O2/c11-7-5-9(15)8(14)3-6(7)4-10-12-1-2-13-10/h3,5,14-15H,1-2,4H2,(H,12,13)
InChI Key:
PPPBZEXMVSHNPG-UHFFFAOYSA-N
SMILES:
Fc1cc(O)c(cc1CC1=NCCN1)O
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.08g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
210.208g/mol
Monoisotopic Mass:
210.08g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
64.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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