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20836-85-5 | Bicyclo[3.2.0]hept-2-en-6-one, 7-chloro-
CAS No: 20836-85-5 Catalog No: AG002JNY MDL No:
Product Description
Catalog Number:
AG002JNY
Chemical Name:
Bicyclo[3.2.0]hept-2-en-6-one, 7-chloro-
CAS Number:
20836-85-5
Molecular Formula:
C7H7ClO
Molecular Weight:
142.5829
IUPAC Name:
7-chlorobicyclo[3.2.0]hept-2-en-6-one
InChI:
InChI=1S/C7H7ClO/c8-6-4-2-1-3-5(4)7(6)9/h1-2,4-6H,3H2
InChI Key:
TXTJXMFCYYBLNX-UHFFFAOYSA-N
SMILES:
O=C1C(Cl)C2C1CC=C2
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.019g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
142.582g/mol
Monoisotopic Mass:
142.019g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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