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2635-13-4 | 1,3-Benzodioxole, 5-bromo-
CAS No: 2635-13-4 Catalog No: AG002SUV MDL No:MFCD00005821
Product Description
Catalog Number:
AG002SUV
Chemical Name:
1,3-Benzodioxole, 5-bromo-
CAS Number:
2635-13-4
Molecular Formula:
C7H5BrO2
Molecular Weight:
201.0174
MDL Number:
MFCD00005821
IUPAC Name:
5-bromo-1,3-benzodioxole
InChI:
InChI=1S/C7H5BrO2/c8-5-1-2-6-7(3-5)10-4-9-6/h1-3H,4H2
InChI Key:
FBOYMIDCHINJKC-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)OCO2
EC Number:
220-123-5
Properties
Complexity:
129
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.947g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.019g/mol
Monoisotopic Mass:
199.947g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| Selective blockade of 2-arachidonoylglycerol hydrolysis produces cannabinoid behavioral effects. | Nature chemical biology 20090101 |
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