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Home > Other Heterocycles > 124418-12-8
124418-12-8 | Bicyclo[2.2.1]heptane-1-carbonyl chloride, 2-oxo-
CAS No: 124418-12-8 Catalog No: AG000LZF MDL No:MFCD18826828
Product Description
Catalog Number:
AG000LZF
Chemical Name:
Bicyclo[2.2.1]heptane-1-carbonyl chloride, 2-oxo-
CAS Number:
124418-12-8
Molecular Formula:
C8H9ClO2
Molecular Weight:
172.6089
MDL Number:
MFCD18826828
IUPAC Name:
2-oxobicyclo[2.2.1]heptane-1-carbonyl chloride
InChI:
InChI=1S/C8H9ClO2/c9-7(11)8-2-1-5(4-8)3-6(8)10/h5H,1-4H2
InChI Key:
TWSTYRGOHGVYHJ-UHFFFAOYSA-N
SMILES:
ClC(=O)C12CCC(C1)CC2=O
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.029g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.608g/mol
Monoisotopic Mass:
172.029g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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