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100954-32-3 | 4(3H)-Quinazolinone, 6-bromo-3-(phenylmethyl)-
CAS No: 100954-32-3 Catalog No: AG0003AY MDL No:
Product Description
Catalog Number:
AG0003AY
Chemical Name:
4(3H)-Quinazolinone, 6-bromo-3-(phenylmethyl)-
CAS Number:
100954-32-3
Molecular Formula:
C15H11BrN2O
Molecular Weight:
315.1646
IUPAC Name:
3-benzyl-6-bromoquinazolin-4-one
InChI:
InChI=1S/C15H11BrN2O/c16-12-6-7-14-13(8-12)15(19)18(10-17-14)9-11-4-2-1-3-5-11/h1-8,10H,9H2
InChI Key:
IVYWUGGSLNVZCV-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)c(=O)n(cn2)Cc1ccccc1
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.005g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
315.17g/mol
Monoisotopic Mass:
314.005g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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