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832721-46-7 | Benzofuran, 6-bromo-6-(bromomethyl)octahydro-3-methyl-
CAS No: 832721-46-7 Catalog No: AG008ILL MDL No:
Product Description
Catalog Number:
AG008ILL
Chemical Name:
Benzofuran, 6-bromo-6-(bromomethyl)octahydro-3-methyl-
CAS Number:
832721-46-7
Molecular Formula:
C10H16Br2O
Molecular Weight:
312.0414
IUPAC Name:
6-bromo-6-(bromomethyl)-3-methyl-3,3a,4,5,7,7a-hexahydro-2H-1-benzofuran
InChI:
InChI=1S/C10H16Br2O/c1-7-5-13-9-4-10(12,6-11)3-2-8(7)9/h7-9H,2-6H2,1H3
InChI Key:
XMUKMCRYGCRIOS-UHFFFAOYSA-N
SMILES:
BrCC1(Br)CCC2C(C1)OCC2C
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.955g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.045g/mol
Monoisotopic Mass:
309.957g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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