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Home > Bromides > 1451392-65-6
1451392-65-6 | 4-Bromo-3-(difluoromethyl)-1H-pyrazole
CAS No: 1451392-65-6 Catalog No: AG003A5S MDL No:MFCD23704677
Product Description
Catalog Number:
AG003A5S
Chemical Name:
4-Bromo-3-(difluoromethyl)-1H-pyrazole
CAS Number:
1451392-65-6
Molecular Formula:
C4H3BrF2N2
Molecular Weight:
196.9808
MDL Number:
MFCD23704677
IUPAC Name:
4-bromo-5-(difluoromethyl)-1H-pyrazole
InChI:
InChI=1S/C4H3BrF2N2/c5-2-1-8-9-3(2)4(6)7/h1,4H,(H,8,9)
InChI Key:
HWYWVZDJOQXJHH-UHFFFAOYSA-N
SMILES:
FC(c1n[nH]cc1Br)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:
1
Isotope Atom Count:
0
Molecular Weight:
196.983g/mol
Monoisotopic Mass:
195.945g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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