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115754-65-9 | 4(3H)-Quinazolinone, 3-amino-6-bromo-2-phenyl-
CAS No: 115754-65-9 Catalog No: AG000GU0 MDL No:
Product Description
Catalog Number:
AG000GU0
Chemical Name:
4(3H)-Quinazolinone, 3-amino-6-bromo-2-phenyl-
CAS Number:
115754-65-9
Molecular Formula:
C14H10BrN3O
Molecular Weight:
316.1527
IUPAC Name:
3-amino-6-bromo-2-phenylquinazolin-4-one
InChI:
InChI=1S/C14H10BrN3O/c15-10-6-7-12-11(8-10)14(19)18(16)13(17-12)9-4-2-1-3-5-9/h1-8H,16H2
InChI Key:
CMTNMFFMRLGVCZ-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)c(=O)n(c(n2)c1ccccc1)N
NSC Number:
628405
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.001g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
316.158g/mol
Monoisotopic Mass:
315.001g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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