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13247-79-5 | Naphthalene, 1-(2-bromoethoxy)-
CAS No: 13247-79-5 Catalog No: AG0010QB MDL No:MFCD02030865
Product Description
Catalog Number:
AG0010QB
Chemical Name:
Naphthalene, 1-(2-bromoethoxy)-
CAS Number:
13247-79-5
Molecular Formula:
C12H11BrO
Molecular Weight:
251.1191
MDL Number:
MFCD02030865
IUPAC Name:
1-(2-bromoethoxy)naphthalene
InChI:
InChI=1S/C12H11BrO/c13-8-9-14-12-7-3-5-10-4-1-2-6-11(10)12/h1-7H,8-9H2
InChI Key:
OBGFJKNQKBMXBM-UHFFFAOYSA-N
SMILES:
BrCCOc1cccc2c1cccc2
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.999g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.123g/mol
Monoisotopic Mass:
249.999g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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