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Home > Other Heterocycles > 1510883-96-1
1510883-96-1 | {bicyclo[4.2.0]octa-1,3,5-trien-7-yl}methanesulfonyl chloride
CAS No: 1510883-96-1 Catalog No: AG01B3AH MDL No:MFCD21764775
Product Description
Catalog Number:
AG01B3AH
Chemical Name:
{bicyclo[4.2.0]octa-1,3,5-trien-7-yl}methanesulfonyl chloride
CAS Number:
1510883-96-1
Molecular Formula:
C9H9ClO2S
Molecular Weight:
216.6846
MDL Number:
MFCD21764775
IUPAC Name:
7-bicyclo[4.2.0]octa-1,3,5-trienylmethanesulfonyl chloride
InChI:
InChI=1S/C9H9ClO2S/c10-13(11,12)6-8-5-7-3-1-2-4-9(7)8/h1-4,8H,5-6H2
InChI Key:
ZDPZZPGVLYKRKJ-UHFFFAOYSA-N
SMILES:
ClS(=O)(=O)CC1Cc2c1cccc2
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.001g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.679g/mol
Monoisotopic Mass:
216.001g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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