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89676-69-7 | 1H-Imidazole-5-methanol, 2,4-difluoro-1-(methoxymethyl)-
CAS No: 89676-69-7 Catalog No: AG0044I7 MDL No:
Product Description
Catalog Number:
AG0044I7
Chemical Name:
1H-Imidazole-5-methanol, 2,4-difluoro-1-(methoxymethyl)-
CAS Number:
89676-69-7
Molecular Formula:
C6H8F2N2O2
Molecular Weight:
178.1367
IUPAC Name:
[2,5-difluoro-3-(methoxymethyl)imidazol-4-yl]methanol
InChI:
InChI=1S/C6H8F2N2O2/c1-12-3-10-4(2-11)5(7)9-6(10)8/h11H,2-3H2,1H3
InChI Key:
CJZMMSNJLIVNCT-UHFFFAOYSA-N
SMILES:
COCn1c(F)nc(c1CO)F
Properties
Complexity:
150
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.055g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
178.139g/mol
Monoisotopic Mass:
178.055g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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