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Home > Fluorides > 250674-81-8
250674-81-8 | 1H-Tetrazole, 1-(4-methoxyphenyl)-5-(trifluoromethyl)-
CAS No: 250674-81-8 Catalog No: AG002QCR MDL No:
Product Description
Catalog Number:
AG002QCR
Chemical Name:
1H-Tetrazole, 1-(4-methoxyphenyl)-5-(trifluoromethyl)-
CAS Number:
250674-81-8
Molecular Formula:
C9H7F3N4O
Molecular Weight:
244.1733
IUPAC Name:
1-(4-methoxyphenyl)-5-(trifluoromethyl)tetrazole
InChI:
InChI=1S/C9H7F3N4O/c1-17-7-4-2-6(3-5-7)16-8(9(10,11)12)13-14-15-16/h2-5H,1H3
InChI Key:
KXUBVJUFPNGQDD-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)n1nnnc1C(F)(F)F
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.057g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.177g/mol
Monoisotopic Mass:
244.057g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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