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72472-29-8 | 9-bromo-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one
CAS No: 72472-29-8 Catalog No: AG01ELXF MDL No:MFCD31559569
Product Description
Catalog Number:
AG01ELXF
Chemical Name:
9-bromo-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one
CAS Number:
72472-29-8
Molecular Formula:
C11H11BrO
Molecular Weight:
239.1084
MDL Number:
MFCD31559569
IUPAC Name:
9-bromo-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
InChI:
InChI=1S/C11H11BrO/c12-10-6-3-7-11(13)9-5-2-1-4-8(9)10/h1-2,4-5,10H,3,6-7H2
InChI Key:
HZPXWGZCCZHHFH-UHFFFAOYSA-N
SMILES:
O=C1CCCC(c2c1cccc2)Br
NSC Number:
304641
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.999g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.112g/mol
Monoisotopic Mass:
237.999g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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