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6625-94-1 | 2,4,7-Trichloroquinazoline
CAS No: 6625-94-1 Catalog No: AG003FOM MDL No:MFCD09954887
Product Description
Catalog Number:
AG003FOM
Chemical Name:
2,4,7-Trichloroquinazoline
CAS Number:
6625-94-1
Molecular Formula:
C8H3Cl3N2
Molecular Weight:
233.4818
MDL Number:
MFCD09954887
IUPAC Name:
2,4,7-trichloroquinazoline
InChI:
InChI=1S/C8H3Cl3N2/c9-4-1-2-5-6(3-4)12-8(11)13-7(5)10/h1-3H
InChI Key:
MFVNIGBXSLGABC-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)nc(nc2Cl)Cl
NSC Number:
58609
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.936g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.476g/mol
Monoisotopic Mass:
231.936g/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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