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158440-98-3 | Naphthalene, 3-bromo-1,2-dihydro-8-methoxy-
CAS No: 158440-98-3 Catalog No: AG001Q6Q MDL No:
Product Description
Catalog Number:
AG001Q6Q
Chemical Name:
Naphthalene, 3-bromo-1,2-dihydro-8-methoxy-
CAS Number:
158440-98-3
Molecular Formula:
C11H11BrO
Molecular Weight:
239.1084
IUPAC Name:
3-bromo-8-methoxy-1,2-dihydronaphthalene
InChI:
InChI=1S/C11H11BrO/c1-13-11-4-2-3-8-7-9(12)5-6-10(8)11/h2-4,7H,5-6H2,1H3
InChI Key:
UQRDDFPHSHBPAQ-UHFFFAOYSA-N
SMILES:
COc1cccc2c1CCC(=C2)Br
Properties
Complexity:
212
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:
1
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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