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85928-57-0 | 2-Bromo-7-methoxy-3,4-dihydronaphthalen-1(2H)-one
CAS No: 85928-57-0 Catalog No: AG003GR8 MDL No:
Product Description
Catalog Number:
AG003GR8
Chemical Name:
2-Bromo-7-methoxy-3,4-dihydronaphthalen-1(2H)-one
CAS Number:
85928-57-0
Molecular Formula:
C11H11BrO2
Molecular Weight:
255.1078
IUPAC Name:
2-bromo-7-methoxy-3,4-dihydro-2H-naphthalen-1-one
InChI:
InChI=1S/C11H11BrO2/c1-14-8-4-2-7-3-5-10(12)11(13)9(7)6-8/h2,4,6,10H,3,5H2,1H3
InChI Key:
WHEBCCJXJLNMGZ-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)C(=O)C(CC2)Br
NSC Number:
218454
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.994g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.111g/mol
Monoisotopic Mass:
253.994g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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