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Home > Fluorides > 102422-29-7
102422-29-7 | 1H-Imidazole-1-carboxamide, N-[3-(trifluoromethyl)phenyl]-
CAS No: 102422-29-7 Catalog No: AG0007EX MDL No:
Product Description
Catalog Number:
AG0007EX
Chemical Name:
1H-Imidazole-1-carboxamide, N-[3-(trifluoromethyl)phenyl]-
CAS Number:
102422-29-7
Molecular Formula:
C11H8F3N3O
Molecular Weight:
255.1959
IUPAC Name:
N-[3-(trifluoromethyl)phenyl]imidazole-1-carboxamide
InChI:
InChI=1S/C11H8F3N3O/c12-11(13,14)8-2-1-3-9(6-8)16-10(18)17-5-4-15-7-17/h1-7H,(H,16,18)
InChI Key:
BMXQTUCMQQKTHQ-UHFFFAOYSA-N
SMILES:
O=C(n1cncc1)Nc1cccc(c1)C(F)(F)F
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.062g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
255.2g/mol
Monoisotopic Mass:
255.062g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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