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1260803-10-8 | 2H-1,4-Benzoxazine, 6-bromo-3,4-dihydro-, hydrochloride (1:1)
CAS No: 1260803-10-8 Catalog No: AG000RB8 MDL No:MFCD09026857
Product Description
Catalog Number:
AG000RB8
Chemical Name:
2H-1,4-Benzoxazine, 6-bromo-3,4-dihydro-, hydrochloride (1:1)
CAS Number:
1260803-10-8
Molecular Formula:
C8H9BrClNO
Molecular Weight:
250.5202
MDL Number:
MFCD09026857
IUPAC Name:
6-bromo-3,4-dihydro-2H-1,4-benzoxazine;hydrochloride
InChI:
InChI=1S/C8H8BrNO.ClH/c9-6-1-2-8-7(5-6)10-3-4-11-8;/h1-2,5,10H,3-4H2;1H
InChI Key:
PTKDEZMAOAZFJE-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)NCCO2.Cl
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.956g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
250.52g/mol
Monoisotopic Mass:
248.956g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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