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233770-05-3 | 1,3-Benzodioxole, 5-bromo-6-chloro-
CAS No: 233770-05-3 Catalog No: AG002N01 MDL No:MFCD12547818
Product Description
Catalog Number:
AG002N01
Chemical Name:
1,3-Benzodioxole, 5-bromo-6-chloro-
CAS Number:
233770-05-3
Molecular Formula:
C7H4BrClO2
Molecular Weight:
235.4625
MDL Number:
MFCD12547818
IUPAC Name:
5-bromo-6-chloro-1,3-benzodioxole
InChI:
InChI=1S/C7H4BrClO2/c8-4-1-6-7(2-5(4)9)11-3-10-6/h1-2H,3H2
InChI Key:
VNFIRXCKAFPWRQ-UHFFFAOYSA-N
SMILES:
Brc1cc2OCOc2cc1Cl
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.908g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.461g/mol
Monoisotopic Mass:
233.908g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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