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89113-47-3 | Naphthalene, 3-bromo-2-methoxy-6-(methoxymethyl)-
CAS No: 89113-47-3 Catalog No: AG003YF8 MDL No:
Product Description
Catalog Number:
AG003YF8
Chemical Name:
Naphthalene, 3-bromo-2-methoxy-6-(methoxymethyl)-
CAS Number:
89113-47-3
Molecular Formula:
C13H13BrO2
Molecular Weight:
281.1451
IUPAC Name:
3-bromo-2-methoxy-6-(methoxymethyl)naphthalene
InChI:
InChI=1S/C13H13BrO2/c1-15-8-9-3-4-10-7-13(16-2)12(14)6-11(10)5-9/h3-7H,8H2,1-2H3
InChI Key:
VGCMZHQKLVIEAY-UHFFFAOYSA-N
SMILES:
COCc1ccc2c(c1)cc(c(c2)OC)Br
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.01g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.149g/mol
Monoisotopic Mass:
280.01g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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