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101083-97-0 | 2,4,6-Cycloheptatrien-1-one, 3-amino-7-bromo-2-hydroxy-
CAS No: 101083-97-0 Catalog No: AG0003PI MDL No:
Product Description
Catalog Number:
AG0003PI
Chemical Name:
2,4,6-Cycloheptatrien-1-one, 3-amino-7-bromo-2-hydroxy-
CAS Number:
101083-97-0
Molecular Formula:
C7H6BrNO2
Molecular Weight:
216.0320
IUPAC Name:
7-amino-3-bromo-2-hydroxycyclohepta-2,4,6-trien-1-one
InChI:
InChI=1S/C7H6BrNO2/c8-4-2-1-3-5(9)7(11)6(4)10/h1-3H,(H3,9,10,11)
InChI Key:
WKRRRHKHWKZDKB-UHFFFAOYSA-N
SMILES:
Brc1cccc(c(c1=O)O)N
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.958g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
216.034g/mol
Monoisotopic Mass:
214.958g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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