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Home > Bromides > 1443327-79-4
1443327-79-4 | 3-Bromo-3',4'-(methylenedioxy)biphenyl
CAS No: 1443327-79-4 Catalog No: AG01FCR0 MDL No:
Product Description
Catalog Number:
AG01FCR0
Chemical Name:
3-Bromo-3',4'-(methylenedioxy)biphenyl
CAS Number:
1443327-79-4
Molecular Formula:
C13H9BrO2
Molecular Weight:
277.1134
IUPAC Name:
5-(3-bromophenyl)-1,3-benzodioxole
InChI:
InChI=1S/C13H9BrO2/c14-11-3-1-2-9(6-11)10-4-5-12-13(7-10)16-8-15-12/h1-7H,8H2
InChI Key:
CKMUWTDUPGLWAC-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)c1ccc2c(c1)OCO2
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.979g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.117g/mol
Monoisotopic Mass:
275.979g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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