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Home > Other Heterocycles > 1473-47-8
1473-47-8 | Bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl chloride
CAS No: 1473-47-8 Catalog No: AG001ESL MDL No:MFCD11520756
Product Description
Catalog Number:
AG001ESL
Chemical Name:
Bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl chloride
CAS Number:
1473-47-8
Molecular Formula:
C9H7ClO
Molecular Weight:
166.6043
MDL Number:
MFCD11520756
IUPAC Name:
bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl chloride
InChI:
InChI=1S/C9H7ClO/c10-9(11)8-5-6-3-1-2-4-7(6)8/h1-4,8H,5H2
InChI Key:
FRRRANOWXWHKJE-UHFFFAOYSA-N
SMILES:
ClC(=O)C1Cc2c1cccc2
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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