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19968-17-3 | 1H-Pyrazole, 4-bromo-3-(trifluoromethyl)-
CAS No: 19968-17-3 Catalog No: AG002CAK MDL No:MFCD04969230
Product Description
Catalog Number:
AG002CAK
Chemical Name:
1H-Pyrazole, 4-bromo-3-(trifluoromethyl)-
CAS Number:
19968-17-3
Molecular Formula:
C4H2BrF3N2
Molecular Weight:
214.9713
MDL Number:
MFCD04969230
IUPAC Name:
4-bromo-5-(trifluoromethyl)-1H-pyrazole
InChI:
InChI=1S/C4H2BrF3N2/c5-2-1-9-10-3(2)4(6,7)8/h1H,(H,9,10)
InChI Key:
JTHNMRUVJDWVMJ-UHFFFAOYSA-N
SMILES:
FC(c1n[nH]cc1Br)(F)F
Properties
Complexity:
126
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.935g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
214.973g/mol
Monoisotopic Mass:
213.935g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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