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132095-54-6 | 2(1H)-Naphthalenone, 7-bromo-3,4-dihydro-
CAS No: 132095-54-6 Catalog No: AG00106P MDL No:MFCD04038486
Product Description
Catalog Number:
AG00106P
Chemical Name:
2(1H)-Naphthalenone, 7-bromo-3,4-dihydro-
CAS Number:
132095-54-6
Molecular Formula:
C10H9BrO
Molecular Weight:
225.0819
MDL Number:
MFCD04038486
IUPAC Name:
7-bromo-3,4-dihydro-1H-naphthalen-2-one
InChI:
InChI=1S/C10H9BrO/c11-9-3-1-7-2-4-10(12)6-8(7)5-9/h1,3,5H,2,4,6H2
InChI Key:
NCTYMQMYDHAKCE-UHFFFAOYSA-N
SMILES:
Brc1cc2CC(=O)CCc2cc1
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.984g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.085g/mol
Monoisotopic Mass:
223.984g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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