Home Halogens 1,3-Benzodioxole, 4-(bromomethyl)-

1,3-Benzodioxole, 4-(bromomethyl)-

CAS No.:
101417-40-7
Catalog Number:
AG0004F6
Molecular Formula:
C8H7BrO2
Molecular Weight:
215.0440
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Product Description
Catalog Number:
AG0004F6
Chemical Name:
1,3-Benzodioxole, 4-(bromomethyl)-
CAS Number:
101417-40-7
Molecular Formula:
C8H7BrO2
Molecular Weight:
215.0440
MDL Number:
MFCD21604251
IUPAC Name:
4-(bromomethyl)-1,3-benzodioxole
InChI:
InChI=1S/C8H7BrO2/c9-4-6-2-1-3-7-8(6)11-5-10-7/h1-3H,4-5H2
InChI Key:
NXSORIZRMNGQNL-UHFFFAOYSA-N
SMILES:
BrCc1cccc2c1OCO2
Properties
Complexity:
140  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.963g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.046g/mol
Monoisotopic Mass:
213.963g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties