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79885-37-3 | 6-Bromoquinazolin-2(1H)-one
CAS No: 79885-37-3 Catalog No: AG00551J MDL No:MFCD09999188
Product Description
Catalog Number:
AG00551J
Chemical Name:
6-Bromoquinazolin-2(1H)-one
CAS Number:
79885-37-3
Molecular Formula:
C8H5BrN2O
Molecular Weight:
225.0421
MDL Number:
MFCD09999188
IUPAC Name:
6-bromo-1H-quinazolin-2-one
InChI:
InChI=1S/C8H5BrN2O/c9-6-1-2-7-5(3-6)4-10-8(12)11-7/h1-4H,(H,10,11,12)
InChI Key:
HNUYWQSBQPNNOB-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)cnc(=O)[nH]2
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:
1
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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