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113853-92-2 | 1H-2-Benzazepine-7,8-diol, 2,3,4,5-tetrahydro-, hydrobromide (1:1)
CAS No: 113853-92-2 Catalog No: AG0009XS MDL No:
Product Description
Catalog Number:
AG0009XS
Chemical Name:
1H-2-Benzazepine-7,8-diol, 2,3,4,5-tetrahydro-, hydrobromide (1:1)
CAS Number:
113853-92-2
Molecular Formula:
C10H14BrNO2
Molecular Weight:
260.1277
IUPAC Name:
2,3,4,5-tetrahydro-1H-2-benzazepine-7,8-diol;hydrobromide
InChI:
InChI=1S/C10H13NO2.BrH/c12-9-4-7-2-1-3-11-6-8(7)5-10(9)13;/h4-5,11-13H,1-3,6H2;1H
InChI Key:
QELFRECJCWLACD-UHFFFAOYSA-N
SMILES:
Oc1cc2CNCCCc2cc1O.Br
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.021g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
260.131g/mol
Monoisotopic Mass:
259.021g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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