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91459-68-6 | 1-Difluoromethyl-1H-imidazole
CAS No: 91459-68-6 Catalog No: AG01EZ1J MDL No:
Product Description
Catalog Number:
AG01EZ1J
Chemical Name:
1-Difluoromethyl-1H-imidazole
CAS Number:
91459-68-6
Molecular Formula:
C4H4F2N2
Molecular Weight:
118.0848
IUPAC Name:
1-(difluoromethyl)imidazole
InChI:
InChI=1S/C4H4F2N2/c5-4(6)8-2-1-7-3-8/h1-4H
InChI Key:
QQJXCDUJHKLIBD-UHFFFAOYSA-N
SMILES:
FC(n1cncc1)F
Properties
Complexity:
76.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
118.034g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
118.087g/mol
Monoisotopic Mass:
118.034g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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