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Home > Fluorides > 1194377-09-7
1194377-09-7 | 1H-Pyrazole, 4-iodo-1-methyl-3-(trifluoromethyl)-
CAS No: 1194377-09-7 Catalog No: AG000P7F MDL No:MFCD11867867
Product Description
Catalog Number:
AG000P7F
Chemical Name:
1H-Pyrazole, 4-iodo-1-methyl-3-(trifluoromethyl)-
CAS Number:
1194377-09-7
Molecular Formula:
C5H4F3IN2
Molecular Weight:
275.9983
MDL Number:
MFCD11867867
IUPAC Name:
4-iodo-1-methyl-3-(trifluoromethyl)pyrazole
InChI:
InChI=1S/C5H4F3IN2/c1-11-2-3(9)4(10-11)5(6,7)8/h2H,1H3
InChI Key:
ZQDJDRAUUFYKJA-UHFFFAOYSA-N
SMILES:
Cn1cc(c(n1)C(F)(F)F)I
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.937g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.001g/mol
Monoisotopic Mass:
275.937g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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