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749258-96-6 | 3-Chloro-4-(trifluoromethyl)pyridazine
CAS No: 749258-96-6 Catalog No: AG003AI2 MDL No:MFCD20484512
Product Description
Catalog Number:
AG003AI2
Chemical Name:
3-Chloro-4-(trifluoromethyl)pyridazine
CAS Number:
749258-96-6
Molecular Formula:
C5H2ClF3N2
Molecular Weight:
182.5310
MDL Number:
MFCD20484512
IUPAC Name:
3-chloro-4-(trifluoromethyl)pyridazine
InChI:
InChI=1S/C5H2ClF3N2/c6-4-3(5(7,8)9)1-2-10-11-4/h1-2H
InChI Key:
JHLNYYAILLQDCR-UHFFFAOYSA-N
SMILES:
Clc1nnccc1C(F)(F)F
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.986g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.53g/mol
Monoisotopic Mass:
181.986g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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