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147003-97-2 | QUINAZOLINE, 4-CHLORO-2-(CHLOROMETHYL)-6-FLUORO-
CAS No: 147003-97-2 Catalog No: AG001EIZ MDL No:
Product Description
Catalog Number:
AG001EIZ
Chemical Name:
QUINAZOLINE, 4-CHLORO-2-(CHLOROMETHYL)-6-FLUORO-
CAS Number:
147003-97-2
Molecular Formula:
C9H5Cl2FN2
Molecular Weight:
231.0538
IUPAC Name:
4-chloro-2-(chloromethyl)-6-fluoroquinazoline
InChI:
InChI=1S/C9H5Cl2FN2/c10-4-8-13-7-2-1-5(12)3-6(7)9(11)14-8/h1-3H,4H2
InChI Key:
ANLNVUDMKOGLGM-UHFFFAOYSA-N
SMILES:
ClCc1nc(Cl)c2c(n1)ccc(c2)F
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.981g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.051g/mol
Monoisotopic Mass:
229.981g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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