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21120-91-2 | Bicyclo[4.2.0]octa-1,3,5-triene, 7-bromo-
CAS No: 21120-91-2 Catalog No: AG002L7K MDL No:MFCD17976891
Product Description
Catalog Number:
AG002L7K
Chemical Name:
Bicyclo[4.2.0]octa-1,3,5-triene, 7-bromo-
CAS Number:
21120-91-2
Molecular Formula:
C8H7Br
Molecular Weight:
183.0452
MDL Number:
MFCD17976891
IUPAC Name:
7-bromobicyclo[4.2.0]octa-1,3,5-triene
InChI:
InChI=1S/C8H7Br/c9-8-5-6-3-1-2-4-7(6)8/h1-4,8H,5H2
InChI Key:
AYNXHFRDABNHRX-UHFFFAOYSA-N
SMILES:
BrC1Cc2c1cccc2
Properties
Complexity:
111
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.973g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.048g/mol
Monoisotopic Mass:
181.973g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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