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180129-02-6 | Azulene, 1-fluoro-3-methyl-
CAS No: 180129-02-6 Catalog No: AG0021Q2 MDL No:
Product Description
Catalog Number:
AG0021Q2
Chemical Name:
Azulene, 1-fluoro-3-methyl-
CAS Number:
180129-02-6
Molecular Formula:
C11H9F
Molecular Weight:
160.1876
IUPAC Name:
1-fluoro-3-methylazulene
InChI:
InChI=1S/C11H9F/c1-8-7-11(12)10-6-4-2-3-5-9(8)10/h2-7H,1H3
InChI Key:
IFIWXFQWXMPQPI-UHFFFAOYSA-N
SMILES:
Fc1cc(c2c1ccccc2)C
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.069g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
160.191g/mol
Monoisotopic Mass:
160.069g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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