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114394-68-2

114394-68-2 | 1,3-Benzodioxole, 5,6-bis(bromomethyl)-

CAS No: 114394-68-2 Catalog No: AG000B88 MDL No:

Product Description

Catalog Number:
AG000B88
Chemical Name:
1,3-Benzodioxole, 5,6-bis(bromomethyl)-
CAS Number:
114394-68-2
Molecular Formula:
C9H8Br2O2
Molecular Weight:
307.9666
IUPAC Name:
5,6-bis(bromomethyl)-1,3-benzodioxole
InChI:
InChI=1S/C9H8Br2O2/c10-3-6-1-8-9(13-5-12-8)2-7(6)4-11/h1-2H,3-5H2
InChI Key:
NXXCPCONRWLAAE-UHFFFAOYSA-N
SMILES:
BrCc1cc2OCOc2cc1CBr

Properties

Complexity:
159  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.887g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
307.969g/mol
Monoisotopic Mass:
305.889g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  

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