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83224-59-3 | 1,4,2-Dioxazine, 3-(1-bromoethyl)-5,6-dihydro-
CAS No: 83224-59-3 Catalog No: AG0057JK MDL No:
Product Description
Catalog Number:
AG0057JK
Chemical Name:
1,4,2-Dioxazine, 3-(1-bromoethyl)-5,6-dihydro-
CAS Number:
83224-59-3
Molecular Formula:
C5H8BrNO2
Molecular Weight:
194.0265
IUPAC Name:
3-(1-bromoethyl)-5,6-dihydro-1,4,2-dioxazine
InChI:
InChI=1S/C5H8BrNO2/c1-4(6)5-7-9-3-2-8-5/h4H,2-3H2,1H3
InChI Key:
BJUSYCAZNZSUSX-UHFFFAOYSA-N
SMILES:
CC(C1=NOCCO1)Br
Properties
Complexity:
126
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.974g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.028g/mol
Monoisotopic Mass:
192.974g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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