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140640-29-5 | Methanone, (4-bromophenyl)-4-quinazolinyl-
CAS No: 140640-29-5 Catalog No: AG001CMG MDL No:
Product Description
Catalog Number:
AG001CMG
Chemical Name:
Methanone, (4-bromophenyl)-4-quinazolinyl-
CAS Number:
140640-29-5
Molecular Formula:
C15H9BrN2O
Molecular Weight:
313.1488
IUPAC Name:
(4-bromophenyl)-quinazolin-4-ylmethanone
InChI:
InChI=1S/C15H9BrN2O/c16-11-7-5-10(6-8-11)15(19)14-12-3-1-2-4-13(12)17-9-18-14/h1-9H
InChI Key:
AGUSGMDEQBOEIT-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)C(=O)c1ncnc2c1cccc2
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.99g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.154g/mol
Monoisotopic Mass:
311.99g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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