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13791-03-2 | Naphthalene, 1-fluoro-7-methoxy-
CAS No: 13791-03-2 Catalog No: AG00143C MDL No:MFCD09037975
Product Description
Catalog Number:
AG00143C
Chemical Name:
Naphthalene, 1-fluoro-7-methoxy-
CAS Number:
13791-03-2
Molecular Formula:
C11H9FO
Molecular Weight:
176.1870
MDL Number:
MFCD09037975
IUPAC Name:
1-fluoro-7-methoxynaphthalene
InChI:
InChI=1S/C11H9FO/c1-13-9-6-5-8-3-2-4-11(12)10(8)7-9/h2-7H,1H3
InChI Key:
UEDDMVOEGYUUGI-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)c(F)ccc2
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.064g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.19g/mol
Monoisotopic Mass:
176.064g/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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