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82683-92-9 | 2-bromocyclohexa-2,4-diene-1,6-diol
CAS No: 82683-92-9 Catalog No: AG004WUI MDL No:
Product Description
Catalog Number:
AG004WUI
Chemical Name:
2-bromocyclohexa-2,4-diene-1,6-diol
CAS Number:
82683-92-9
Molecular Formula:
C6H7BrO2
Molecular Weight:
191.0226
IUPAC Name:
3-bromocyclohexa-3,5-diene-1,2-diol
InChI:
InChI=1S/C6H7BrO2/c7-4-2-1-3-5(8)6(4)9/h1-3,5-6,8-9H
InChI Key:
KLPGXZKAVBGFGF-UHFFFAOYSA-N
SMILES:
OC1C(O)C=CC=C1Br
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.963g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
191.024g/mol
Monoisotopic Mass:
189.963g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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