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Home > Bromides > 1823256-61-6
1823256-61-6 | 8-Quinazolinecarboxylic acid, 5-bromo-, ethyl ester
CAS No: 1823256-61-6 Catalog No: AG0023MI MDL No:
Product Description
Catalog Number:
AG0023MI
Chemical Name:
8-Quinazolinecarboxylic acid, 5-bromo-, ethyl ester
CAS Number:
1823256-61-6
Molecular Formula:
C11H9BrN2O2
Molecular Weight:
281.1054
IUPAC Name:
ethyl 5-bromoquinazoline-8-carboxylate
InChI:
InChI=1S/C11H9BrN2O2/c1-2-16-11(15)7-3-4-9(12)8-5-13-6-14-10(7)8/h3-6H,2H2,1H3
InChI Key:
LVYFPDLBJIXUCC-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(c2c1ncnc2)Br
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.985g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.109g/mol
Monoisotopic Mass:
279.985g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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