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295330-61-9 | 6-Quinazolinol, 4-[(3-bromophenyl)amino]-7-methoxy-
CAS No: 295330-61-9 Catalog No: AG002YOM MDL No:
Product Description
Catalog Number:
AG002YOM
Chemical Name:
6-Quinazolinol, 4-[(3-bromophenyl)amino]-7-methoxy-
CAS Number:
295330-61-9
Molecular Formula:
C15H12BrN3O2
Molecular Weight:
346.1787
IUPAC Name:
4-(3-bromoanilino)-7-methoxyquinazolin-6-ol
InChI:
InChI=1S/C15H12BrN3O2/c1-21-14-7-12-11(6-13(14)20)15(18-8-17-12)19-10-4-2-3-9(16)5-10/h2-8,20H,1H3,(H,17,18,19)
InChI Key:
DZWMMLDTYCTYBC-UHFFFAOYSA-N
SMILES:
COc1cc2ncnc(c2cc1O)Nc1cccc(c1)Br
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.011g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
346.184g/mol
Monoisotopic Mass:
345.011g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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