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14658-94-7 | Azulene, 1,3-dichloro-
CAS No: 14658-94-7 Catalog No: AG001E5U MDL No:
Product Description
Catalog Number:
AG001E5U
Chemical Name:
Azulene, 1,3-dichloro-
CAS Number:
14658-94-7
Molecular Formula:
C10H6Cl2
Molecular Weight:
197.0606
IUPAC Name:
1,3-dichloroazulene
InChI:
InChI=1S/C10H6Cl2/c11-9-6-10(12)8-5-3-1-2-4-7(8)9/h1-6H
InChI Key:
WHRWUFQUMNUVQH-UHFFFAOYSA-N
SMILES:
Clc1cc(c2c1ccccc2)Cl
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.985g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.058g/mol
Monoisotopic Mass:
195.985g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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