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Home > Other Heterocycles > 112997-99-6
112997-99-6 | Bicyclo[2.2.1]hepta-2,5-diene-2-carbonylchloride
CAS No: 112997-99-6 Catalog No: AG0078HM MDL No:
Product Description
Catalog Number:
AG0078HM
Chemical Name:
Bicyclo[2.2.1]hepta-2,5-diene-2-carbonylchloride
CAS Number:
112997-99-6
Molecular Formula:
C8H7ClO
Molecular Weight:
154.5936
IUPAC Name:
bicyclo[2.2.1]hepta-2,5-diene-2-carbonyl chloride
InChI:
InChI=1S/C8H7ClO/c9-8(10)7-4-5-1-2-6(7)3-5/h1-2,4-6H,3H2
InChI Key:
FVRKAEIDCPJNHJ-UHFFFAOYSA-N
SMILES:
ClC(=O)C1=CC2CC1C=C2
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.019g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
154.593g/mol
Monoisotopic Mass:
154.019g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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