Home Halogens 7-bromo-8-(chloromethyl)-3,4-dihydro-2H-1,5-benzodioxepine

7-bromo-8-(chloromethyl)-3,4-dihydro-2H-1,5-benzodioxepine

CAS No.:
893722-03-7
Catalog Number:
AG01A4X0
Molecular Formula:
C10H10BrClO2
Molecular Weight:
277.5422
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Product Description
Catalog Number:
AG01A4X0
Chemical Name:
7-bromo-8-(chloromethyl)-3,4-dihydro-2H-1,5-benzodioxepine
CAS Number:
893722-03-7
Molecular Formula:
C10H10BrClO2
Molecular Weight:
277.5422
MDL Number:
MFCD06496438
IUPAC Name:
7-bromo-8-(chloromethyl)-3,4-dihydro-2H-1,5-benzodioxepine
InChI:
InChI=1S/C10H10BrClO2/c11-8-5-10-9(4-7(8)6-12)13-2-1-3-14-10/h4-5H,1-3,6H2
InChI Key:
ONPBBZOESDHYSC-UHFFFAOYSA-N
SMILES:
ClCc1cc2OCCCOc2cc1Br
Properties
Complexity:
191  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.955g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.542g/mol
Monoisotopic Mass:
275.955g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties