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Home > Fluorides > 1022931-45-8
1022931-45-8 | Pyrano[4,3-c]pyrazole, 1,4,6,7-tetrahydro-3-(trifluoromethyl)-
CAS No: 1022931-45-8 Catalog No: AG00074S MDL No:MFCD08447340
Product Description
Catalog Number:
AG00074S
Chemical Name:
Pyrano[4,3-c]pyrazole, 1,4,6,7-tetrahydro-3-(trifluoromethyl)-
CAS Number:
1022931-45-8
Molecular Formula:
C7H7F3N2O
Molecular Weight:
192.1385
MDL Number:
MFCD08447340
IUPAC Name:
3-(trifluoromethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole
InChI:
InChI=1S/C7H7F3N2O/c8-7(9,10)6-4-3-13-2-1-5(4)11-12-6/h1-3H2,(H,11,12)
InChI Key:
AWSUGGOWOZTHGT-UHFFFAOYSA-N
SMILES:
FC(c1n[nH]c2c1COCC2)(F)F
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.051g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
192.141g/mol
Monoisotopic Mass:
192.051g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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