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Home > Bromides > 1219130-47-8
1219130-47-8 | Quinazoline, 5-bromo-8-methoxy-
CAS No: 1219130-47-8 Catalog No: AG0016EH MDL No:MFCD26967942
Product Description
Catalog Number:
AG0016EH
Chemical Name:
Quinazoline, 5-bromo-8-methoxy-
CAS Number:
1219130-47-8
Molecular Formula:
C9H7BrN2O
Molecular Weight:
239.0687
MDL Number:
MFCD26967942
IUPAC Name:
5-bromo-8-methoxyquinazoline
InChI:
InChI=1S/C9H7BrN2O/c1-13-8-3-2-7(10)6-4-11-5-12-9(6)8/h2-5H,1H3
InChI Key:
CCIJNDWDLAJOLK-UHFFFAOYSA-N
SMILES:
COc1ccc(c2c1ncnc2)Br
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.974g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.072g/mol
Monoisotopic Mass:
237.974g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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