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179598-70-0 | Quinazoline, 4-chloro-6-iodo-2-(trifluoromethyl)-
CAS No: 179598-70-0 Catalog No: AG002747 MDL No:MFCD09954893
Product Description
Catalog Number:
AG002747
Chemical Name:
Quinazoline, 4-chloro-6-iodo-2-(trifluoromethyl)-
CAS Number:
179598-70-0
Molecular Formula:
C9H3ClF3IN2
Molecular Weight:
358.4862
MDL Number:
MFCD09954893
IUPAC Name:
4-chloro-6-iodo-2-(trifluoromethyl)quinazoline
InChI:
InChI=1S/C9H3ClF3IN2/c10-7-5-3-4(14)1-2-6(5)15-8(16-7)9(11,12)13/h1-3H
InChI Key:
FPZIZZJDDSBKBN-UHFFFAOYSA-N
SMILES:
Ic1ccc2c(c1)c(Cl)nc(n2)C(F)(F)F
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
357.898g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
358.487g/mol
Monoisotopic Mass:
357.898g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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