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182479-74-9 | 1,3-Benzodioxole, 5-(bromomethyl)-6-chloro-
CAS No: 182479-74-9 Catalog No: AG0023WX MDL No:
Product Description
Catalog Number:
AG0023WX
Chemical Name:
1,3-Benzodioxole, 5-(bromomethyl)-6-chloro-
CAS Number:
182479-74-9
Molecular Formula:
C8H6BrClO2
Molecular Weight:
249.4890
IUPAC Name:
5-(bromomethyl)-6-chloro-1,3-benzodioxole
InChI:
InChI=1S/C8H6BrClO2/c9-3-5-1-7-8(2-6(5)10)12-4-11-7/h1-2H,3-4H2
InChI Key:
CYVUVCLPZRJNRF-UHFFFAOYSA-N
SMILES:
BrCc1cc2OCOc2cc1Cl
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.924g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.488g/mol
Monoisotopic Mass:
247.924g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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