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113592-99-7 | Bicyclo[4.2.0]octa-1,3,5,7-tetraene, 3-(chloromethyl)-
CAS No: 113592-99-7 Catalog No: AG00093K MDL No:MFCD19234015
Product Description
Catalog Number:
AG00093K
Chemical Name:
Bicyclo[4.2.0]octa-1,3,5,7-tetraene, 3-(chloromethyl)-
CAS Number:
113592-99-7
Molecular Formula:
C9H7Cl
Molecular Weight:
150.6049
MDL Number:
MFCD19234015
IUPAC Name:
3-(chloromethyl)bicyclo[4.2.0]octa-1(6),2,4,7-tetraene
InChI:
InChI=1S/C9H7Cl/c10-6-7-1-2-8-3-4-9(8)5-7/h1-5H,6H2
InChI Key:
OEOPLHFZGRMRQW-UHFFFAOYSA-N
SMILES:
ClCc1ccc2c(c1)C=C2
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.024g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
150.605g/mol
Monoisotopic Mass:
150.024g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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