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26231-23-2 | 1(2H)-Naphthalenone, 5-bromo-3,4-dihydro-6-methoxy-
CAS No: 26231-23-2 Catalog No: AG002SEA MDL No:MFCD03931833
Product Description
Catalog Number:
AG002SEA
Chemical Name:
1(2H)-Naphthalenone, 5-bromo-3,4-dihydro-6-methoxy-
CAS Number:
26231-23-2
Molecular Formula:
C11H11BrO2
Molecular Weight:
255.1078
MDL Number:
MFCD03931833
IUPAC Name:
5-bromo-6-methoxy-3,4-dihydro-2H-naphthalen-1-one
InChI:
InChI=1S/C11H11BrO2/c1-14-10-6-5-7-8(11(10)12)3-2-4-9(7)13/h5-6H,2-4H2,1H3
InChI Key:
ROPXFOQFXJIBNL-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1Br)CCCC2=O
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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