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Home > Fluorides > 1006348-71-5
1006348-71-5 | 1H-Pyrazole-1-acetonitrile, 3-(trifluoromethyl)-
CAS No: 1006348-71-5 Catalog No: AG0002J6 MDL No:MFCD04969709
Product Description
Catalog Number:
AG0002J6
Chemical Name:
1H-Pyrazole-1-acetonitrile, 3-(trifluoromethyl)-
CAS Number:
1006348-71-5
Molecular Formula:
C6H4F3N3
Molecular Weight:
175.1113
MDL Number:
MFCD04969709
IUPAC Name:
2-[3-(trifluoromethyl)pyrazol-1-yl]acetonitrile
InChI:
InChI=1S/C6H4F3N3/c7-6(8,9)5-1-3-12(11-5)4-2-10/h1,3H,4H2
InChI Key:
AQADPWZHQLIOPU-UHFFFAOYSA-N
SMILES:
N#CCn1ccc(n1)C(F)(F)F
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.036g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.114g/mol
Monoisotopic Mass:
175.036g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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