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16499-64-2 | 4-Chloro-6-(trifluoromethyl)quinazoline
CAS No: 16499-64-2 Catalog No: AG0033ZO MDL No:MFCD09837194
Product Description
Catalog Number:
AG0033ZO
Chemical Name:
4-Chloro-6-(trifluoromethyl)quinazoline
CAS Number:
16499-64-2
Molecular Formula:
C9H4ClF3N2
Molecular Weight:
232.5897
MDL Number:
MFCD09837194
IUPAC Name:
4-chloro-6-(trifluoromethyl)quinazoline
InChI:
InChI=1S/C9H4ClF3N2/c10-8-6-3-5(9(11,12)13)1-2-7(6)14-4-15-8/h1-4H
InChI Key:
OJNBXNWWYXBHGZ-UHFFFAOYSA-N
SMILES:
Clc1ncnc2c1cc(cc2)C(F)(F)F
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.002g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.59g/mol
Monoisotopic Mass:
232.002g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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