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Home > Bromides > 1049730-36-0
1049730-36-0 | 4-BROMO-1-(2,2-DIFLUOROETHYL)-1H-PYRAZOLE
CAS No: 1049730-36-0 Catalog No: AG01EL41 MDL No:MFCD12780068
Product Description
Catalog Number:
AG01EL41
Chemical Name:
4-BROMO-1-(2,2-DIFLUOROETHYL)-1H-PYRAZOLE
CAS Number:
1049730-36-0
Molecular Formula:
C5H5BrF2N2
Molecular Weight:
211.0074
MDL Number:
MFCD12780068
IUPAC Name:
4-bromo-1-(2,2-difluoroethyl)pyrazole
InChI:
InChI=1S/C5H5BrF2N2/c6-4-1-9-10(2-4)3-5(7)8/h1-2,5H,3H2
InChI Key:
NEZQCHLMQBJZIM-UHFFFAOYSA-N
SMILES:
FC(Cn1ncc(c1)Br)F
Properties
Complexity:
112
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.96g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.01g/mol
Monoisotopic Mass:
209.96g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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