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251639-76-6 | Quinazoline, 6-bromo-4-phenyl-, 3-oxide
CAS No: 251639-76-6 Catalog No: AG002QPR MDL No:
Product Description
Catalog Number:
AG002QPR
Chemical Name:
Quinazoline, 6-bromo-4-phenyl-, 3-oxide
CAS Number:
251639-76-6
Molecular Formula:
C14H9BrN2O
Molecular Weight:
301.1381
IUPAC Name:
6-bromo-3-oxido-4-phenylquinazolin-3-ium
InChI:
InChI=1S/C14H9BrN2O/c15-11-6-7-13-12(8-11)14(17(18)9-16-13)10-4-2-1-3-5-10/h1-9H
InChI Key:
DJSHCIQPEYHZQN-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)c(c1ccccc1)[n+](cn2)[O-]
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.99g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
301.143g/mol
Monoisotopic Mass:
299.99g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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