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Home > Other Heterocycles > 121675-98-7
121675-98-7 | Bicyclo[2.2.1]hepta-2,5-diene-2-carbonyl chloride, 3-methyl-
CAS No: 121675-98-7 Catalog No: AG0015K5 MDL No:
Product Description
Catalog Number:
AG0015K5
Chemical Name:
Bicyclo[2.2.1]hepta-2,5-diene-2-carbonyl chloride, 3-methyl-
CAS Number:
121675-98-7
Molecular Formula:
C9H9ClO
Molecular Weight:
168.6202
IUPAC Name:
3-methylbicyclo[2.2.1]hepta-2,5-diene-2-carbonyl chloride
InChI:
InChI=1S/C9H9ClO/c1-5-6-2-3-7(4-6)8(5)9(10)11/h2-3,6-7H,4H2,1H3
InChI Key:
PUPFEVNAWKNZDN-UHFFFAOYSA-N
SMILES:
ClC(=O)C1=C(C)C2CC1C=C2
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.034g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.62g/mol
Monoisotopic Mass:
168.034g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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