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1160994-87-5 | Quinazoline, 4-chloro-7-(trifluoromethoxy)-
CAS No: 1160994-87-5 Catalog No: AG000BMS MDL No:MFCD12400772
Product Description
Catalog Number:
AG000BMS
Chemical Name:
Quinazoline, 4-chloro-7-(trifluoromethoxy)-
CAS Number:
1160994-87-5
Molecular Formula:
C9H4ClF3N2O
Molecular Weight:
248.5891
MDL Number:
MFCD12400772
IUPAC Name:
4-chloro-7-(trifluoromethoxy)quinazoline
InChI:
InChI=1S/C9H4ClF3N2O/c10-8-6-2-1-5(16-9(11,12)13)3-7(6)14-4-15-8/h1-4H
InChI Key:
YSAWRQYKZHJVDJ-UHFFFAOYSA-N
SMILES:
Clc1ncnc2c1ccc(c2)OC(F)(F)F
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.996g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.589g/mol
Monoisotopic Mass:
247.996g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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