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Home > Other Heterocycles > 99718-03-3
99718-03-3 | Bicyclo[4.2.0]octa-1,3,5-triene-3-carbonylchloride
CAS No: 99718-03-3 Catalog No: AG006NED MDL No:
Product Description
Catalog Number:
AG006NED
Chemical Name:
Bicyclo[4.2.0]octa-1,3,5-triene-3-carbonylchloride
CAS Number:
99718-03-3
Molecular Formula:
C9H7ClO
Molecular Weight:
166.6043
IUPAC Name:
bicyclo[4.2.0]octa-1(6),2,4-triene-3-carbonyl chloride
InChI:
InChI=1S/C9H7ClO/c10-9(11)8-4-2-6-1-3-7(6)5-8/h2,4-5H,1,3H2
InChI Key:
ZOMVOFOQIGOCJP-UHFFFAOYSA-N
SMILES:
ClC(=O)c1ccc2c(c1)CC2
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.019g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.604g/mol
Monoisotopic Mass:
166.019g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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