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Home > Fluorides > 197968-46-0
197968-46-0 | Benzenemethanol, 2-iodo-4-[3-(trifluoromethyl)-3H-diazirin-3-yl]-
CAS No: 197968-46-0 Catalog No: AG002B7B MDL No:
Product Description
Catalog Number:
AG002B7B
Chemical Name:
Benzenemethanol, 2-iodo-4-[3-(trifluoromethyl)-3H-diazirin-3-yl]-
CAS Number:
197968-46-0
Molecular Formula:
C9H6F3IN2O
Molecular Weight:
342.0564
IUPAC Name:
[2-iodo-4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methanol
InChI:
InChI=1S/C9H6F3IN2O/c10-9(11,12)8(14-15-8)6-2-1-5(4-16)7(13)3-6/h1-3,16H,4H2
InChI Key:
RRDFFESOQHBLLK-UHFFFAOYSA-N
SMILES:
OCc1ccc(cc1I)C1(N=N1)C(F)(F)F
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.948g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
342.06g/mol
Monoisotopic Mass:
341.948g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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