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122450-96-8 | 2H-Pyrido[3,2-b]-1,4-oxazin-3(4H)-one, 7-bromo-
CAS No: 122450-96-8 Catalog No: AG00178N MDL No:MFCD09834134
Product Description
Catalog Number:
AG00178N
Chemical Name:
2H-Pyrido[3,2-b]-1,4-oxazin-3(4H)-one, 7-bromo-
CAS Number:
122450-96-8
Molecular Formula:
C7H5BrN2O2
Molecular Weight:
229.0308
MDL Number:
MFCD09834134
IUPAC Name:
7-bromo-4H-pyrido[3,2-b][1,4]oxazin-3-one
InChI:
InChI=1S/C7H5BrN2O2/c8-4-1-5-7(9-2-4)10-6(11)3-12-5/h1-2H,3H2,(H,9,10,11)
InChI Key:
ATRMUPKQFDRURR-UHFFFAOYSA-N
SMILES:
O=C1COc2c(N1)ncc(c2)Br
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.953g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
229.033g/mol
Monoisotopic Mass:
227.953g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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