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250337-98-5 | Bicyclo[4.2.0]octa-1,3,5-triene, 3-(bromomethyl)-
CAS No: 250337-98-5 Catalog No: AG002Q8G MDL No:
Product Description
Catalog Number:
AG002Q8G
Chemical Name:
Bicyclo[4.2.0]octa-1,3,5-triene, 3-(bromomethyl)-
CAS Number:
250337-98-5
Molecular Formula:
C9H9Br
Molecular Weight:
197.0718
IUPAC Name:
3-(bromomethyl)bicyclo[4.2.0]octa-1(6),2,4-triene
InChI:
InChI=1S/C9H9Br/c10-6-7-1-2-8-3-4-9(8)5-7/h1-2,5H,3-4,6H2
InChI Key:
IGMGCMGCSKLTLA-UHFFFAOYSA-N
SMILES:
BrCc1ccc2c(c1)CC2
Properties
Complexity:
122
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.989g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.075g/mol
Monoisotopic Mass:
195.989g/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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