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77150-35-7 | 8-Bromoquinazolin-4(1H);-one
CAS No: 77150-35-7 Catalog No: AG005DUH MDL No:MFCD10699396
Product Description
Catalog Number:
AG005DUH
Chemical Name:
8-Bromoquinazolin-4(1H);-one
CAS Number:
77150-35-7
Molecular Formula:
C8H5BrN2O
Molecular Weight:
225.0421
MDL Number:
MFCD10699396
IUPAC Name:
8-bromo-3H-quinazolin-4-one
InChI:
InChI=1S/C8H5BrN2O/c9-6-3-1-2-5-7(6)10-4-11-8(5)12/h1-4H,(H,10,11,12)
InChI Key:
YMPLBWWSJVLODH-UHFFFAOYSA-N
SMILES:
Brc1cccc2c1[nH]cnc2=O
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.959g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.045g/mol
Monoisotopic Mass:
223.959g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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