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956477-67-1 | 4-Bromo-1-(difluoromethyl)-1H-pyrazole
CAS No: 956477-67-1 Catalog No: AG003A58 MDL No:MFCD11558132
Product Description
Catalog Number:
AG003A58
Chemical Name:
4-Bromo-1-(difluoromethyl)-1H-pyrazole
CAS Number:
956477-67-1
Molecular Formula:
C4H3BrF2N2
Molecular Weight:
196.9808
MDL Number:
MFCD11558132
IUPAC Name:
4-bromo-1-(difluoromethyl)pyrazole
InChI:
InChI=1S/C4H3BrF2N2/c5-3-1-8-9(2-3)4(6)7/h1-2,4H
InChI Key:
YZFOWGPIDPASFC-UHFFFAOYSA-N
SMILES:
FC(n1ncc(c1)Br)F
Properties
Complexity:
101
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.945g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.983g/mol
Monoisotopic Mass:
195.945g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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