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Home > Bromides > 1303588-53-5
1303588-53-5 | Pyrido[3,2-b][1,4]oxazepine, 7-bromo-2,3,4,5-tetrahydro-
CAS No: 1303588-53-5 Catalog No: AG000UAM MDL No:MFCD27921131
Product Description
Catalog Number:
AG000UAM
Chemical Name:
Pyrido[3,2-b][1,4]oxazepine, 7-bromo-2,3,4,5-tetrahydro-
CAS Number:
1303588-53-5
Molecular Formula:
C8H9BrN2O
Molecular Weight:
229.0739
MDL Number:
MFCD27921131
IUPAC Name:
7-bromo-2,3,4,5-tetrahydropyrido[3,2-b][1,4]oxazepine
InChI:
InChI=1S/C8H9BrN2O/c9-7-3-2-6-8(11-7)10-4-1-5-12-6/h2-3H,1,4-5H2,(H,10,11)
InChI Key:
VEHVLYRRUAQJIN-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(n1)NCCCO2
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.99g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
229.077g/mol
Monoisotopic Mass:
227.99g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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