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19844-70-3 | 5H-Benzocyclohepten-5-one, 6-bromo-6,7,8,9-tetrahydro-
CAS No: 19844-70-3 Catalog No: AG002BII MDL No:MFCD11590954
Product Description
Catalog Number:
AG002BII
Chemical Name:
5H-Benzocyclohepten-5-one, 6-bromo-6,7,8,9-tetrahydro-
CAS Number:
19844-70-3
Molecular Formula:
C11H11BrO
Molecular Weight:
239.1084
MDL Number:
MFCD11590954
IUPAC Name:
6-bromo-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
InChI:
InChI=1S/C11H11BrO/c12-10-7-3-5-8-4-1-2-6-9(8)11(10)13/h1-2,4,6,10H,3,5,7H2
InChI Key:
JIIICACPFONLNC-UHFFFAOYSA-N
SMILES:
BrC1CCCc2c(C1=O)cccc2
NSC Number:
109372
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:
3.3
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