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180129-07-1 | Azulene, 1-fluoro-2-methyl-
CAS No: 180129-07-1 Catalog No: AG0021Q1 MDL No:
Product Description
Catalog Number:
AG0021Q1
Chemical Name:
Azulene, 1-fluoro-2-methyl-
CAS Number:
180129-07-1
Molecular Formula:
C11H9F
Molecular Weight:
160.1876
IUPAC Name:
1-fluoro-2-methylazulene
InChI:
InChI=1S/C11H9F/c1-8-7-9-5-3-2-4-6-10(9)11(8)12/h2-7H,1H3
InChI Key:
NKISQHKIFQXFPM-UHFFFAOYSA-N
SMILES:
Cc1cc2c(c1F)ccccc2
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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