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Home > Other Heterocycles > 148054-41-5
148054-41-5 | Bicyclo[2.2.1]hepta-2,5-diene-2-carbonyl chloride, 3-acetyl-
CAS No: 148054-41-5 Catalog No: AG001FER MDL No:
Product Description
Catalog Number:
AG001FER
Chemical Name:
Bicyclo[2.2.1]hepta-2,5-diene-2-carbonyl chloride, 3-acetyl-
CAS Number:
148054-41-5
Molecular Formula:
C10H9ClO2
Molecular Weight:
196.6303
IUPAC Name:
3-acetylbicyclo[2.2.1]hepta-2,5-diene-2-carbonyl chloride
InChI:
InChI=1S/C10H9ClO2/c1-5(12)8-6-2-3-7(4-6)9(8)10(11)13/h2-3,6-7H,4H2,1H3
InChI Key:
ZGLDFRZVOLQIGX-UHFFFAOYSA-N
SMILES:
ClC(=O)C1=C(C(=O)C)C2CC1C=C2
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.029g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.63g/mol
Monoisotopic Mass:
196.029g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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